NCBI Taxonomy: 1125

Zeaxanthin

C40H56O2 (568.4280076)

Zeaxanthin is a carotenoid xanthophyll and is one of the most common carotenoid found in nature. It is the pigment that gives corn, saffron, and many other plants their characteristic color. Zeaxanthin breaks down to form picrocrocin and safranal, which are responsible for the taste and aroma of saffron Carotenoids are among the most common pigments in nature and are natural lipid soluble antioxidants. Zeaxanthin is one of the two carotenoids (the other is lutein) that accumulate in the eye lens and macular region of the retina with concentrations in the macula greater than those found in plasma and other tissues. Lutein and zeaxanthin have identical chemical formulas and are isomers, but they are not stereoisomers. The main difference between them is in the location of a double bond in one of the end rings. This difference gives lutein three chiral centers whereas zeaxanthin has two. A relationship between macular pigment optical density, a marker of lutein and zeaxanthin concentration in the macula, and lens optical density, an antecedent of cataractous changes, has been suggested. The xanthophylls may act to protect the eye from ultraviolet phototoxicity via quenching reactive oxygen species and/or other mechanisms. Some observational studies have shown that generous intakes of lutein and zeaxanthin, particularly from certain xanthophyll-rich foods like spinach, broccoli and eggs, are associated with a significant reduction in the risk for cataract (up to 20\\%) and for age-related macular degeneration (up to 40\\%). While the pathophysiology of cataract and age-related macular degeneration is complex and contains both environmental and genetic components, research studies suggest dietary factors including antioxidant vitamins and xanthophylls may contribute to a reduction in the risk of these degenerative eye diseases. Further research is necessary to confirm these observations. (PMID: 11023002). Zeaxanthin has been found to be a microbial metabolite, it can be produced by Algibacter, Aquibacter, Escherichia, Flavobacterium, Formosa, Gramella, Hyunsoonleella, Kordia, Mesoflavibacter, Muricauda, Nubsella, Paracoccus, Siansivirga, Sphingomonas, Zeaxanthinibacter and yeast (https://reader.elsevier.com/reader/sd/pii/S0924224417302571?token=DE6BC6CC7DCDEA6150497AA3E375097A00F8E0C12AE03A8E420D85D1AC8855E62103143B5AE0B57E9C5828671F226801). It is a marker for the activity of Bacillus subtilis and/or Pseudomonas aeruginosa in the intestine. Higher levels are associated with higher levels of Bacillus or Pseudomonas. (PMID: 17555270; PMID: 12147474) Zeaxanthin is a carotenol. It has a role as a bacterial metabolite, a cofactor and an antioxidant. It derives from a hydride of a beta-carotene. Zeaxanthin is a most common carotenoid alcohols found in nature that is involved in the xanthophyll cycle. As a coexistent isomer of lutein, zeaxanthin is synthesized in plants and some micro-organisms. It gives the distinct yellow color to many vegetables and other plants including paprika, corn, saffron and wolfberries. Zeaxanthin is one of the two primary xanthophyll carotenoids contained within the retina of the eye and plays a predominant component in the central macula. It is available as a dietary supplement for eye health benefits and potential prevention of age-related macular degeneration. Zeaxanthin is also added as a food dye. Zeaxanthin is a natural product found in Bangia fuscopurpurea, Erythrobacter longus, and other organisms with data available. Carotenoids found in fruits and vegetables. Zeaxanthin accumulates in the MACULA LUTEA. See also: Saffron (part of); Corn (part of); Lycium barbarum fruit (part of). D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

Cedorol

C15H26O (222.1983546)

Cedrol, also known as alpha-cedrol or (+)-cedrol, is a member of the class of compounds known as cedrane and isocedrane sesquiterpenoids. Cedrane and isocedrane sesquiterpenoids are sesquiternoids with a structure based on the cedrane or the isocedrane skeleton. Cedrane is a tricyclic molecules a 3,6,8,8-tetramethyl-1H-3a,7-methano-azulene moiety. Isocedrane is a rearranged cedrane arising from the migration of methyl group moved from the 6-position to the 4-position. Thus, cedrol is considered to be an isoprenoid lipid molecule. Cedrol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cedrol can be found in ginger, which makes cedrol a potential biomarker for the consumption of this food product. Cedrol is a sesquiterpene alcohol found in the essential oil of conifers (cedar oil), especially in the genera Cupressus (cypress) and Juniperus (juniper). It has also been identified in Origanum onites, a plant related to oregano. Its main uses are in the chemistry of aroma compounds. It makes up about 19\\\\% of cedarwood oil Texas and 15.8\\\\% of cedarwood oil Virginia . Cedrol is a bioactive sesquiterpene, a potent competitive inhibitor of cytochrome P-450 (CYP) enzymes. Cedrol inhibits CYP2B6-mediated bupropion hydroxylase and CYP3A4-mediated midazolam hydroxylation with Ki of 0.9 μM and 3.4 μM, respectively. Cedrol also has weak inhibitory effect on CYP2C8, CYP2C9, and CYP2C19 enzymes[1]. Cedrol is found in cedar essential oil and poetesses anti-septic, anti-inflammatory, anti-spasmodic, tonic, astringent, diuretic, insecticidal, and anti-fungal activities[2]. Cedrol is a bioactive sesquiterpene, a potent competitive inhibitor of cytochrome P-450 (CYP) enzymes. Cedrol inhibits CYP2B6-mediated bupropion hydroxylase and CYP3A4-mediated midazolam hydroxylation with Ki of 0.9 μM and 3.4 μM, respectively. Cedrol also has weak inhibitory effect on CYP2C8, CYP2C9, and CYP2C19 enzymes[1]. Cedrol is found in cedar essential oil and poetesses anti-septic, anti-inflammatory, anti-spasmodic, tonic, astringent, diuretic, insecticidal, and anti-fungal activities[2].

Diethyl phthalic acid

C12H14O4 (222.0892044)

Diethyl phthalic acid, also known as diethyl phthalate, 1,2-diethyl phthalic acid or 1,2-benzenedicarboxylic acid diethyl ester, is classified as a member of the benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Diethyl phthalic acid is considered to be practically insoluble (in water) and basic. This substance is commonly used to make plastics more flexible. Products in which it is found include toothbrushes, automobile parts, tools, toys, and food packaging. Diethyl phthalic acid can be released fairly easily from these products, as it is not part of the chain of chemicals (polymers) that makes up the plastic. Diethyl phthalic acid is also used in cosmetics, insecticides, and aspirin. Phthalate esters can cause reproductive and developmental toxicity. (L1900, A2883) It is a non-carcinogenic (not listed by IARC) potentially toxic compound. (ChemoSummarizer) CONFIDENCE standard compound; EAWAG_UCHEM_ID 3672 Same as: D03804

Microcystin LR

C49H74N10O12 (994.5487404)

CONFIDENCE standard compound; UCHEM_ID 2992; NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk) D009676 - Noxae > D002273 - Carcinogens > D052998 - Microcystins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins CONFIDENCE standard compound; EAWAG_UCHEM_ID 2992 D004791 - Enzyme Inhibitors

Microcystin RR

C49H75N13O12 (1037.565787)

A microcystin consisting of D-alanyl, L-arginyl, (3S)-3-methyl-D-beta-aspartyl, L-arginyl, (2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl, D-gamma-glutamyl, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. D009676 - Noxae > D002273 - Carcinogens > D052998 - Microcystins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins CONFIDENCE standard compound; EAWAG_UCHEM_ID 3250 CONFIDENCE standard compound; UCHEM_ID 3250; NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk); EQ cyanopeptide spectra replaced with more comprehensive acquisition. CONFIDENCE standard compound; UCHEM_ID 3250; NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk)

microcystin yr

C52H72N10O13 (1044.5280062000002)

CONFIDENCE standard compound; UCHEM_ID 3251; NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk); EQ cyanopeptide spectra replaced with more comprehensive acquisition. CONFIDENCE standard compound; UCHEM_ID 3251; NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk) D009676 - Noxae > D002273 - Carcinogens > D052998 - Microcystins

Naphthalene

C10H8 (128.0625968)

Naphthalene, also known as naftaleno or albocarbon, belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Naphthalene is possibly neutral. Naphthalene is a dry, pungent, and tar tasting compound. Naphthalene is found, on average, in the highest concentration within a few different foods, such as black walnuts, corns, and cloves. Naphthalene has also been detected, but not quantified, in several different foods, such as green bell peppers, orange bell peppers, rices, yellow bell peppers, and red bell peppers. This could make naphthalene a potential biomarker for the consumption of these foods. Naphthalene was once the primary ingredient in mothballs, though its use has largely been replaced in favor of alternatives such as 1,4-dichlorobenzene. Naphthalene is formally rated as a possible carcinogen (by IARC 2B) and is also a potentially toxic compound. Inhalation of naphthalene vapor has been associated with headaches, nausea, vomiting and dizziness. Naphthalene is the most abundant single component of coal tar so most of it is now industrially derived from coal tar. Aside from coal tar, trace amounts of naphthalene are produced by magnolias and some species of deer, as well as the Formosan subterranean termite, possibly produced by the termite as a repellant against "ants, poisonous fungi and nematode worms."[23] Some strains of the endophytic fungus Muscodor albus produce naphthalene among a range of volatile organic compounds, while Muscodor vitigenus produces naphthalene almost exclusively (PMID:12427963). Found in many essential oils

Canthaxanthin

C40H52O2 (564.3967092)

Canthaxanthin, also known as Cantaxanthin, Cantaxanthine, or Canthaxanthine is a keto-carotenoid, a pigment widely distributed in nature. Carotenoids belong to a larger class of phytochemicals known as terpenoids. Canthaxanin is also classified as a xanthophyll. Xanthophylls are yellow pigments and form one of two major divisions of the carotenoid group; the other division is formed by the carotenes. Both are carotenoids. Xanthophylls and carotenes are similar in structure, but xanthophylls contain oxygen atoms while carotenes are purely hydrocarbons, which do not contain oxygen. Their content of oxygen causes xanthophylls to be more polar (in molecular structure) than carotenes and causes their separation from carotenes in many types of chromatography. (Carotenes are usually more orange in color than xanthophylls. Canthaxanthin is naturally found in bacteria, algae and some fungi. Canthaxanthin is associated with E number E161g and is approved for use as a food coloring agent in different countries, including the United States and the EU. Canthaxanthin is used as poultry feed additive to yield red color in skin and yolks. The European Union permits the use of canthaxanthin in feedstuff at a maximum content of 25 mg/kg of final feedstuff while the United States allows the use of this pigment in broiler chicken and salmonid fish feeds. Canthoxanthin was first isolated in edible chanterelle mushroom (Cantharellus cinnabarinus), from which it derived its name. It has also been found in green algae, bacteria, archea (a halophilic archaeon called Haloferax alexandrines), fungi and bioaccumulates in tissues and egg yolk from wild birds and at low levels in crustaceans and fish such as carp, golden grey mullet, and seabream. Canthaxanthin is not found in wild Atlantic Salmon, but is a minor carotenoid in Pacific Salmon. Canthaxanthin is used in farm-raised trout to give a red/orange color to their flesh similar to wild trout. Canthaxanthin has been used as a food additive for egg yolk, in cosmetics and as a pigmenting agent for human skin applications. It has also been used as a feed additive in fish and crustacean farms. Canthaxanthin is a potent lipid-soluble antioxidant (PMID: 2505240). Canthaxanthin increases resistance to lipid peroxidation primarily by enhancing membrane alpha-tocopherol levels and secondarily by providing weak direct antioxidant activity. Canthaxanthin biosynthesis in bacteria and algae proceeds from beta-carotene via the action of an enzyme known as a beta-carotene ketolase, that is able to add a carbonyl group to carbon 4 and 4 of the beta carotene molecule. Food colouring. Constituent of the edible mushroom (Cantharellus cinnabarinus), sea trout, salmon and brine shrimp. It is used in broiler chicken feed to enhance the yellow colour of chicken skin D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

2,6-Di-tert-butyl-4-methylphenol

C15H24O (220.18270539999997)

2,6-Di-tert-butyl-4-methylphenol, also known as butylated hydroxytoluene or BHT, belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. BHT is a mild, camphor, and musty tasting compound. It has been detected, but not quantified, in soft-necked garlic. This could make BHT a potential biomarker for the consumption of this food. BHT is a synthetic phenolic antioxidant (SPA). SPAs are a family of chemicals used widely in foods, polymers, and cosmetics as radical trapping agents to slow down degradation due to oxidation. Given their widespread use, human exposure is unavoidable and there is public concern regarding environmental contamination by these chemicals. BHT was detected in human urine (PMID:31265952). Antioxidant, used in cosmetics, foods and pharmaceuticals D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant Same as: D02413 Butylated hydroxytoluene is an antioxidant widely used in foods and in food-related products[1]. Butylated hydroxytoluene is a Ferroptosis inhibitor[2].

echinenone

C40H54O (550.4174434)

A carotenone that is beta-carotene in which the 4 position has undergone formal oxidation to afford the corresponding ketone. Isolated as orange-red crystals, it is widely distributed in marine invertebrates. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids Window width for selecting the precursor ion was 3 Da.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.

Heptadecane

C17H36 (240.2816856)

Heptadecane, also known as CH3-[CH2]15-CH3, belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Heptadecane is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, heptadecane is considered to be a hydrocarbon lipid molecule. Heptadecane is an organic compound, an alkane hydrocarbon with the chemical formula C17H36. The most compact and branched isomer would be tetra-tert-butylmethane, but its existence is believed to be impossible due to steric hindrance. The name may refer to any of 24894 theoretically possible structural isomers, or to a mixture thereof. Heptadecane is an alkane tasting compound. heptadecane has been detected, but not quantified, in several different foods, such as lemon balms, coconuts, orange bell peppers, allspices, and pepper (c. annuum). This could make heptadecane a potential biomarker for the consumption of these foods. In the IUPAC nomenclature, the name of this compound is simply heptadecane, since the other isomers are viewed and named as alkyl-substituted versions of smaller alkanes. The unbranched isomer is normal or n-heptadecane, CH3(CH2)15CH3. Indeed, it is believed to be the smallest "impossible" alkane. Heptadecane, also known as ch3-[ch2]15-ch3, is a member of the class of compounds known as alkanes. Alkanes are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Thus, heptadecane is considered to be a hydrocarbon lipid molecule. Heptadecane is an alkane tasting compound and can be found in a number of food items such as papaya, orange bell pepper, pepper (spice), and red bell pepper, which makes heptadecane a potential biomarker for the consumption of these food products. Heptadecane can be found primarily in saliva. The unbranched isomer is normal or n-heptadecane, CH3(CH2)15CH3. In the IUPAC nomenclature, the name of this compound is simply heptadecane, since the other isomers are viewed and named as alkyl-substituted versions of smaller alkanes .

Pentadecane

C15H32 (212.2503872)

Pentadecane, also known as ch3-[ch2]13-ch3, is a member of the class of compounds known as alkanes. Alkanes are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Thus, pentadecane is considered to be a hydrocarbon lipid molecule. Pentadecane is an alkane and waxy tasting compound and can be found in a number of food items such as dill, papaya, yellow bell pepper, and pepper (c. annuum), which makes pentadecane a potential biomarker for the consumption of these food products. Pentadecane can be found primarily in saliva. Pentadecane is a non-carcinogenic (not listed by IARC) potentially toxic compound. Pentadecane is an alkane hydrocarbon with the chemical formula C15H32 . Pentadecane belongs to the family of Acyclic Alkanes. These are acyclic hydrocarbons consisting only of n carbon atoms and m hydrogen atoms where m=2*n + 2

Thujopsene

C15H24 (204.18779039999998)

A thujopsene that has (S,S,S)-configuration.

beta-Ionone

C13H20O (192.151407)

Beta-ionone is a colorless to light yellow liquid with an odor of cedar wood. In very dilute alcoholic solution the odor resembles odor of violets. Used in perfumery. Beta-ionone is an ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4. It has a role as an antioxidant and a fragrance. beta-Ionone is a natural product found in Nepeta nepetella, Vitis rotundifolia, and other organisms with data available. beta-Ionone is a metabolite found in or produced by Saccharomyces cerevisiae. beta-Ionone, also known as (e)-b-ionone or trans-beta-ionone, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Found in many essential oils including oil of Boronia megastigma (brown boronia) and coml. ionone. Flavouring agent An ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids β-Ionone is effective in the induction of apoptosis in gastric adenocarcinoma SGC7901 cells. Anti-cancer activity[1]. β-Ionone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=79-77-6 (retrieved 2024-11-06) (CAS RN: 79-77-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Cyanopeptolin A

C46H72N10O12 (956.5330912000001)

Aeruginopeptin 228A

C52H68N8O15 (1044.4803898)

Microcystilide A

C54H72N8O15 (1072.5116882)

beta-Cyclocitral

C10H16O (152.12010859999998)

Constituent of saffron and many other plant materials. Production by Microcystis subspecies A 50:50 mixture with 2,6,6-Trimethyl-2-cyclohexene-1-carboxaldehyde JQM42-W is used as a flavouring ingredient. beta-Cyclocitral is found in many foods, some of which are orange mint, herbs and spices, fig, and tea. beta-Cyclocitral is found in fig. beta-Cyclocitral is a constituent of saffron and many other plant materials. beta-Cyclocitral is produced by Microcystis species beta-Cyclocitral is a 50:50 mixture with 2,6,6-Trimethyl-2-cyclohexene-1-carboxaldehyde JQM42-W is used as a flavouring ingredient.

Cedrol

C15H26O (222.1983546)

Cedrol is a cedrane sesquiterpenoid and a tertiary alcohol. Cedrol is a natural product found in Xylopia aromatica, Widdringtonia whytei, and other organisms with data available. Cedrol is a bioactive sesquiterpene, a potent competitive inhibitor of cytochrome P-450 (CYP) enzymes. Cedrol inhibits CYP2B6-mediated bupropion hydroxylase and CYP3A4-mediated midazolam hydroxylation with Ki of 0.9 μM and 3.4 μM, respectively. Cedrol also has weak inhibitory effect on CYP2C8, CYP2C9, and CYP2C19 enzymes[1]. Cedrol is found in cedar essential oil and poetesses anti-septic, anti-inflammatory, anti-spasmodic, tonic, astringent, diuretic, insecticidal, and anti-fungal activities[2]. Cedrol is a bioactive sesquiterpene, a potent competitive inhibitor of cytochrome P-450 (CYP) enzymes. Cedrol inhibits CYP2B6-mediated bupropion hydroxylase and CYP3A4-mediated midazolam hydroxylation with Ki of 0.9 μM and 3.4 μM, respectively. Cedrol also has weak inhibitory effect on CYP2C8, CYP2C9, and CYP2C19 enzymes[1]. Cedrol is found in cedar essential oil and poetesses anti-septic, anti-inflammatory, anti-spasmodic, tonic, astringent, diuretic, insecticidal, and anti-fungal activities[2].

Heneicosane

C21H44 (296.3442824)

Heneicosane, also known as CH3-[CH2]19-CH3, belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Thus, heneicosane is considered to be a hydrocarbon lipid molecule. Heneicosane is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Heneicosane is an alkane and waxy tasting compound. Heneicosane is found, on average, in the highest concentration within a few different foods, such as black elderberries, common oregano, and lemon balms. Heneicosane has also been detected, but not quantified, in several different foods, such as sunflowers, kohlrabis, orange bell peppers, lindens, and pepper (c. annuum). This could make heneicosane a potential biomarker for the consumption of these foods. An alkane that has 21 carbons and a straight-chain structure. Heneicosane, also known as ch3-[ch2]19-ch3, is a member of the class of compounds known as alkanes. Alkanes are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Thus, heneicosane is considered to be a hydrocarbon lipid molecule. Heneicosane is an alkane and waxy tasting compound and can be found in a number of food items such as orange bell pepper, yellow bell pepper, lemon balm, and pepper (c. annuum), which makes heneicosane a potential biomarker for the consumption of these food products. Heneicosane can be found primarily in saliva. The term higher alkanes is sometimes used literally as "alkanes with a higher number of carbon atoms". One definition distinguishes the higher alkanes as the n-alkanes that are solid under natural conditions . Crystals. (NTP, 1992) Henicosane is an alkane that has 21 carbons and a straight-chain structure. It has been isolated from plants like Periploca laevigata and Carthamus tinctorius. It has a role as a pheromone, a plant metabolite and a volatile oil component. Heneicosane is a natural product found in Erucaria microcarpa, Microcystis aeruginosa, and other organisms with data available. See also: Moringa oleifera leaf oil (part of). An alkane that has 21 carbons and a straight-chain structure. It has been isolated from plants like Periploca laevigata and Carthamus tinctorius. Heneicosane is an aroma component isolated from Streptomyces philanthi RL-1-178 or Serapias cordigera. Heneicosane is a pheromone and inhibits aflatoxin production[1][2][3]. Heneicosane is an aroma component isolated from Streptomyces philanthi RL-1-178 or Serapias cordigera. Heneicosane is a pheromone and inhibits aflatoxin production[1][2][3].

Isozeaxanthin

C40H56O2 (568.4280076)

Isozeaxanthin is found in fishes. Isozeaxanthin is widespread in marine animals. Additive for salmon feed. Widespread in marine animals. Additive for salmon feed. Isozeaxanthin is found in fishes.

Nonadecane

C19H40 (268.31298400000003)

Nonadecane, also known as CH3-[CH2]17-CH3, belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Nonadecane is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, nonadecane is considered to be a hydrocarbon lipid molecule. Nonadecane is an alkane and bland tasting compound. nonadecane has been detected, but not quantified, in several different foods, such as pomes, watermelons, yellow bell peppers, allspices, and papaya. This could make nonadecane a potential biomarker for the consumption of these foods. Nonadecane has been linked to the inborn metabolic disorders including celiac disease. Isolated from apple wax. Nonadecane is found in many foods, some of which are pepper (c. annuum), red bell pepper, papaya, and dill.

Eicosane

C20H42 (282.3286332)

Eicosane, also known as ch3-[ch2]18-ch3 or octyldodecane, is a member of the class of compounds known as alkanes. Alkanes are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Thus, eicosane is considered to be a hydrocarbon lipid molecule. Eicosane is an alkane and waxy tasting compound and can be found in a number of food items such as linden, papaya, dill, and lemon balm, which makes eicosane a potential biomarker for the consumption of these food products. Eicosane can be found primarily in feces and saliva. Icosanes size, state or chemical inactivity does not exclude it from the traits its smaller alkane counterparts have. It is a colorless, non-polar molecule, nearly unreactive except when it burns. It is less dense than and insoluble in water. Its non-polar trait means it can only perform weak intermolecular bonding (hydrophobic/van der Waals forces) . Eicosane, also known as CH3-[CH2]18-CH3 or octyldodecane, belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Eicosane is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, eicosane is considered to be a hydrocarbon lipid molecule. Eicosane is an alkane and waxy tasting compound. Eicosane is found, on average, in the highest concentration within lemon balms. Eicosane has also been detected, but not quantified, in several different foods, such as allspices, papaya, coconuts, lindens, and hyssops. This could make eicosane a potential biomarker for the consumption of these foods. These are acyclic hydrocarbons consisting only of n carbon atoms and m hydrogen atoms where m=2*n + 2.

Octadecane

C18H38 (254.2973348)

Octadecane, also known as CH3-[CH2]16-CH3, belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Octadecane is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, octadecane is considered to be a hydrocarbon lipid molecule. Octadecane is an alkane tasting compound. Octadecane has been detected, but not quantified, in several different foods, such as papaya, corianders, sunflowers, kohlrabis, and parsnips. Found in hop oil and other plant sources. Isolated from Piper longum (long pepper). Octadecane is an alkane that is used to store thermal energy at ambient temperature as a phase change material[1].

Thujopsene

C15H24 (204.18779039999998)

Thujopsene is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thujopsene can be found in lovage, which makes thujopsene a potential biomarker for the consumption of this food product. Thujopsene is found in the essential oil of a variety of conifers, in particular Juniperus cedrus and Thujopsis dolabrata in which it comprises around 2.2\\% of the weight of the heartwood .

Cedrol

C15H26O (222.1983546)

Cedrol is a member of the class of compounds known as cedrane and isocedrane sesquiterpenoids. Cedrane and isocedrane sesquiterpenoids are sesquiternoids with a structure based on the cedrane or the isocedrane skeleton. Cedrane is a tricyclic molecules a 3,6,8,8-tetramethyl-1H-3a,7-methano-azulene moiety. Isocedrane is a rearranged cedrane arising from the migration of methyl group moved from the 6-position to the 4-position. Cedrol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cedrol is a sweet, cedarwood, and dry tasting compound found in ginger, pepper (spice), and peppermint, which makes cedrol a potential biomarker for the consumption of these food products. Cedrol is a sesquiterpene alcohol found in the essential oil of conifers (cedar oil), especially in the genera Cupressus (cypress) and Juniperus (juniper). It has also been identified in Origanum onites, a plant related to oregano. Its main uses are in the chemistry of aroma compounds. It makes up about 19\\\\% of cedarwood oil Texas and 15.8\\\\% of cedarwood oil Virginia . Cedrol is a bioactive sesquiterpene, a potent competitive inhibitor of cytochrome P-450 (CYP) enzymes. Cedrol inhibits CYP2B6-mediated bupropion hydroxylase and CYP3A4-mediated midazolam hydroxylation with Ki of 0.9 μM and 3.4 μM, respectively. Cedrol also has weak inhibitory effect on CYP2C8, CYP2C9, and CYP2C19 enzymes[1]. Cedrol is found in cedar essential oil and poetesses anti-septic, anti-inflammatory, anti-spasmodic, tonic, astringent, diuretic, insecticidal, and anti-fungal activities[2]. Cedrol is a bioactive sesquiterpene, a potent competitive inhibitor of cytochrome P-450 (CYP) enzymes. Cedrol inhibits CYP2B6-mediated bupropion hydroxylase and CYP3A4-mediated midazolam hydroxylation with Ki of 0.9 μM and 3.4 μM, respectively. Cedrol also has weak inhibitory effect on CYP2C8, CYP2C9, and CYP2C19 enzymes[1]. Cedrol is found in cedar essential oil and poetesses anti-septic, anti-inflammatory, anti-spasmodic, tonic, astringent, diuretic, insecticidal, and anti-fungal activities[2].

henicosane-10,12-dione

C21H40O2 (324.302814)

Cedrol

C15H26O (222.1983546)

DIETHYL PHTHALATE

C12H14O4 (222.0892044)

Same as: D03804 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4163; ORIGINAL_PRECURSOR_SCAN_NO 4159 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4172; ORIGINAL_PRECURSOR_SCAN_NO 4171 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4139; ORIGINAL_PRECURSOR_SCAN_NO 4136 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4166; ORIGINAL_PRECURSOR_SCAN_NO 4161 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3826; ORIGINAL_PRECURSOR_SCAN_NO 3822 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4186; ORIGINAL_PRECURSOR_SCAN_NO 4185 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8711; ORIGINAL_PRECURSOR_SCAN_NO 8708 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8697; ORIGINAL_PRECURSOR_SCAN_NO 8692 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8731; ORIGINAL_PRECURSOR_SCAN_NO 8728 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8759; ORIGINAL_PRECURSOR_SCAN_NO 8755 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8651; ORIGINAL_PRECURSOR_SCAN_NO 8648 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8671; ORIGINAL_PRECURSOR_SCAN_NO 8667 CONFIDENCE standard compound; INTERNAL_ID 8353

Zeaxanthin

C40H56O2 (568.4280076)

Meso-zeaxanthin (3R,3´S-zeaxanthin) is a xanthophyll carotenoid, as it contains oxygen and hydrocarbons, and is one of the three stereoisomers of zeaxanthin. Of the three stereoisomers, meso-zeaxanthin is the second most abundant in nature after 3R,3´R-zeaxanthin, which is produced by plants and algae. To date, meso-zeaxanthin has been identified in specific tissues of marine organisms and in the macula lutea, also known as the "yellow spot", of the human retina . Meso-zeaxanthin is a member of the class of compounds known as xanthophylls. Xanthophylls are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. Meso-zeaxanthin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Meso-zeaxanthin can be found in channel catfish, crustaceans, and fishes, which makes meso-zeaxanthin a potential biomarker for the consumption of these food products. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids Window width for selecting the precursor ion was 3 Da.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.

Diethylphthalate

C12H14O4 (222.0892044)

CONFIDENCE standard compound; INTERNAL_ID 200

Dibutylhydroxytoluene

C15H24O (220.18270539999997)

D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant CONFIDENCE standard compound; INTERNAL_ID 2454 Butylated hydroxytoluene is an antioxidant widely used in foods and in food-related products[1]. Butylated hydroxytoluene is a Ferroptosis inhibitor[2].

Butylated hydroxytoluene

C15H24O (220.18270539999997)

D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant Butylated hydroxytoluene is an antioxidant widely used in foods and in food-related products[1]. Butylated hydroxytoluene is a Ferroptosis inhibitor[2].

N-Octadecane

C18H38 (254.2973348)

A straight-chain alkane carrying 18 carbon atoms. Octadecane is an alkane that is used to store thermal energy at ambient temperature as a phase change material[1].

Nonadekan

C19H40 (268.31298400000003)

β-Cyclocitral

C10H16O (152.12010859999998)

A monoterpenoid formally derived from citral by cyclisation. It is a volatile compound produced by a cyanobacteria.

Icosane

C20H42 (282.3286332)

A straight chain alkane composed of 20 carbon atoms. It has been isolated from the leaves of Agave attenuata.

Heneicosane

C21H44 (296.3442824)

Heneicosane is an aroma component isolated from Streptomyces philanthi RL-1-178 or Serapias cordigera. Heneicosane is a pheromone and inhibits aflatoxin production[1][2][3]. Heneicosane is an aroma component isolated from Streptomyces philanthi RL-1-178 or Serapias cordigera. Heneicosane is a pheromone and inhibits aflatoxin production[1][2][3].

N-HEPTADECANE

C17H36 (240.2816856)

A straight-chain alkane with 17 carbon atoms. It is a component of essential oils from plants like Opuntia littoralis and Annona squamosa.

Pentadecane

C15H32 (212.2503872)

A straight-chain alkane with 15 carbon atoms. It is a component of volatile oils isolated from plants species like Scandix balansae.

NONADECANE

C19H40 (268.31298400000003)

A straight-chain alkane with 19 carbon atoms. It has been found as a component of essential oils isolated from Artemisia armeniaca.

(-)-thujopsene

C15H24 (204.18779039999998)

canthaxanthin

C40H52O2 (564.3967092)

A carotenone that consists of beta,beta-carotene bearing two oxo substituents at positions 4 and 4. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

Isozeaxanthin

C40H56O2 (568.4280076)

naphthalene

C10H8 (128.0625968)

An aromatic hydrocarbon comprising two fused benzene rings. It occurs in the essential oils of numerous plant species e.g. magnolia.

β-Ionone

C13H20O (192.151407)

D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids β-Ionone is effective in the induction of apoptosis in gastric adenocarcinoma SGC7901 cells. Anti-cancer activity[1]. β-Ionone is effective in the induction of apoptosis in gastric adenocarcinoma SGC7901 cells. Anti-cancer activity[1].

AI3-37227

C10H16O (152.12010859999998)

Pentadekan

C15H32 (212.2503872)

Heptadekan

C17H36 (240.2816856)

Henicosane

C21H44 (296.3442824)

Heneicosane is an aroma component isolated from Streptomyces philanthi RL-1-178 or Serapias cordigera. Heneicosane is a pheromone and inhibits aflatoxin production[1][2][3]. Heneicosane is an aroma component isolated from Streptomyces philanthi RL-1-178 or Serapias cordigera. Heneicosane is a pheromone and inhibits aflatoxin production[1][2][3].

Oktadekan

C18H38 (254.2973348)

Octadecane is an alkane that is used to store thermal energy at ambient temperature as a phase change material[1].

Anozol

C12H14O4 (222.0892044)

LS-871

C13H20O (192.151407)

D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids β-Ionone is effective in the induction of apoptosis in gastric adenocarcinoma SGC7901 cells. Anti-cancer activity[1]. β-Ionone is effective in the induction of apoptosis in gastric adenocarcinoma SGC7901 cells. Anti-cancer activity[1].

Ionol

C15H24O (220.18270539999997)

D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant Butylated hydroxytoluene is an antioxidant widely used in foods and in food-related products[1]. Butylated hydroxytoluene is a Ferroptosis inhibitor[2].

Naftalen

C10H8 (128.0625968)

Aeruginopeptin 917S-A

C54H72N8O15 (1072.5116882)

microcystin-LR

C49H74N10O12 (994.5487404)

A microcystin consisting of D-alanyl, L-leucyl, (3S)-3-methyl-D-beta-aspartyl,L-arginyl, 2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl, D-gamma-glutamyl, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. Produced by the cyanobacterium Microcystis aeruginosa, it is the most studied of the microcystins. D009676 - Noxae > D002273 - Carcinogens > D052998 - Microcystins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D004791 - Enzyme Inhibitors

Butylhydroxytoluene

C15H24O (220.18270539999997)

D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant Same as: D02413 Butylated hydroxytoluene is an antioxidant widely used in foods and in food-related products[1]. Butylated hydroxytoluene is a Ferroptosis inhibitor[2].

(2s)-2-({[(2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-10-chloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-(4-hydroxyphenyl)propanoic acid

C37H60ClN5O8 (737.413019)

(2r,3ar,6r,7ar)-6-(acetyloxy)-1-[(2r)-2-{[(2s)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-(4-hydroxyphenyl)propanoyl]-octahydroindole-2-carboximidic acid

C29H35N3O8 (553.2424030000001)

n-{2-benzyl-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl}-2-[(1-hydroxyethylidene)amino]pentanediimidic acid

C46H64N8O12 (920.4643464)

(2s,3as,6r,7as)-n-[(2s,3r)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2r)-2-{[(2r)-1,2-dihydroxy-3-[4-(sulfooxy)phenyl]propylidene]amino}-3-(4-hydroxyphenyl)propanoyl]-6-hydroxy-octahydroindole-2-carboximidic acid

C33H44N6O11S (732.2788634000001)

(2s)-n-[(2s,5s,8s,11s,12s,15s,18s,21r)-2-benzyl-5-[(3-chloro-4-hydroxyphenyl)methyl]-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-[(1-hydroxyethylidene)amino]pentanediimidic acid

C46H63ClN8O12 (954.4253748)

(3s)-3-{[(2s,5s,8s,11r,12s,15s,18s,21r)-2-[(2s)-butan-2-yl]-6,13,16,21-tetrahydroxy-5,15-bis[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-3-[(1-hydroxyhexylidene)amino]propanoic acid

C49H69N7O14 (979.4902254)

n-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-[2-({3-[3-chloro-4-(sulfooxy)phenyl]-1,2-dihydroxypropylidene}amino)-4-methylpentanoyl]-6-hydroxy-octahydroindole-2-carboximidic acid

C30H45ClN6O10S (716.2606260000001)

8-benzyl-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,15,19-tetramethyl-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C48H63N7O12 (929.4534478)

(4r,11s,14s,17s)-4-[(2s)-butan-2-yl]-14-[(1r)-1-hydroxyethyl]-17-isopropyl-11-methyl-19-oxa-6-thia-3,10,13,16,21,22-hexaazatricyclo[16.2.1.1⁵,⁸]docosa-1(20),2,5(22),7,9,12,15,18(21)-octaene-2,9,12,15-tetrol

C24H34N6O6S (534.2260424)

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-8-[(4-hydroxy-3-methoxyphenyl)methyl]-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C53H74N10O14 (1074.5385704)

(2s)-2-{[(2s)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-[(1e,4r)-4-(methylamino)cyclohex-2-en-1-ylidene]propylidene]amino}-3-[(1e,4r)-4-[(1-hydroxyethylidene)amino]cyclohex-2-en-1-ylidene]propanoic acid

C23H32N4O5 (444.2372582)

[1,4,7,10,13,16,19,22,25,28-decahydroxy-9,18,21-tris(c-hydroxycarbonimidoylmethyl)-30-(1-hydroxyethyl)-27-(hydroxymethyl)-3,24-bis(1h-indol-3-ylmethyl)-6-(2-methylpropyl)-31-oxo-3h,6h,9h,12h,15h,18h,21h,24h,27h,30h,33h,34h,35h,35ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-15-yl]acetic acid

C58H76N16O18 (1284.5523236)

n-[(2r,3s)-1-carbamimidoyl-2-ethoxypiperidin-3-yl]-1-[(2r)-2-{[(2r)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-(4-hydroxyphenyl)propanoyl]-6-hydroxy-octahydroindole-2-carboximidic acid

C35H48N6O8 (680.3533448000001)

(2s)-1-[(2s)-2-[(2s)-2-{[(2s)-2-{[(3r)-3-amino-10,10-dichloro-1-hydroxydecylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-n,4-dimethylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

C40H57Cl2N5O8 (805.3583982)

(2s)-2-({[(3s,6s,9s,12s,15r)-3-benzyl-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-12-isopropyl-6,7-dimethyl-8-oxo-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-5-methoxy-5-oxopentanoic acid

C41H57N7O11 (823.4115852)

(2s)-2-({[(2s)-1-[(2s)-2-[(2s)-2-{[(2s,3r)-3-amino-1,2-dihydroxydecylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-3-methylpentanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-(4-hydroxyphenyl)propanoic acid

C40H59N5O9 (753.4312564)

(5r,8s,11r,12s,15s,18s,19s,22r)-8-benzyl-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C52H71N7O12 (985.5160446)

(2r)-2-({[(3s,6s,9s,12s,15r)-3-[(2s)-butan-2-yl]-2,5,11,14-tetrahydroxy-6-[2-(4-hydroxyphenyl)ethyl]-12-isopropyl-7-methyl-8-oxo-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-(4-hydroxyphenyl)propanoic acid

C48H65N7O10 (899.479267)

(2s)-2-amino-4-{[(2s,5s,8s,11r,12s,15s,18s,21r)-5-benzyl-8-[(2s)-butan-2-yl]-6,13,16,21-tetrahydroxy-15-{[(1s,4r)-4-hydroxycyclohex-2-en-1-yl]methyl}-2-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}butanoic acid

C44H65N7O12 (883.469097)

(2s,3as,6r,7as)-1-[(2s,3r)-2-{[(2r)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-methylpentanoyl]-6-hydroxy-octahydroindole-2-carboximidic acid

C24H35N3O6 (461.25257300000004)

(2r)-n-[(2s,5s,8s,11s,12s,15s,18s,21r)-5-benzyl-8-[(2s)-butan-2-yl]-15-(3-carbamimidamidopropyl)-6,13,16-trihydroxy-2-isopropyl-21-methoxy-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-[(1-hydroxybutylidene)amino]-4-methoxy-4-oxobutanimidic acid

C46H72N10O12 (956.5330912000001)

[(3s,6s,9s,12s,18s,21s,27s,30s,33s,36s,39s,42s,45s)-9-(4-aminobutyl)-39-[(2s)-butan-2-yl]-18-(3-carbamimidamidopropyl)-5,8,11,20,23,26,29,32,35,38,41,44-dodecahydroxy-6-(c-hydroxycarbonimidoylmethyl)-21-[(1r)-1-hydroxyethyl]-42-(1h-indol-3-ylmethyl)-3,30-dimethyl-33,36-bis(2-methylpropyl)-2,17-dioxo-1,4,7,10,16,19,22,25,28,31,34,37,40,43-tetradecaazatricyclo[43.3.0.0¹²,¹⁶]octatetraconta-4,7,10,19,22,25,28,31,34,37,40,43-dodecaen-27-yl]acetic acid

C71H112N20O18 (1532.8463052000002)

[(1r,4s,7s,10s,13s,16r,19s,22s,25s,31s,34r,37s)-16-(4-aminobutyl)-37-benzyl-2,5,8,11,14,17,20,23,32,35,38-undecahydroxy-19-[2-(c-hydroxycarbonimidoyl)ethyl]-13,34-bis[(1r)-1-hydroxyethyl]-25-[(4-hydroxyphenyl)methyl]-10-methyl-7-(2-methylpropyl)-26-oxo-41,42-dithia-3,6,9,12,15,18,21,24,27,33,36,39-dodecaazatricyclo[20.17.4.0²⁷,³¹]tritetraconta-2,5,8,11,14,17,20,23,32,35,38-undecaen-4-yl]acetic acid

C61H88N14O18S2 (1368.5842148000002)

(2s)-n-[(2s,5s,8s,11s,12s,15s,18s,21r)-2-benzyl-6,13,16,21-tetrahydroxy-5,15-bis[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-[(1-hydroxybutylidene)amino]pentanediimidic acid

C51H66N8O13 (998.4749106)

(4s)-4-{[(2s,5s,8s,11r,12s,15s,18s,21s)-15-(4-aminobutyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-2-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-4-[(1-hydroxyhexylidene)amino]butanoic acid

C47H74N8O13 (958.5375074)

(3s)-3-{[(2s,5s,8s,11r,12s,15s,18s,21r)-15-(4-aminobutyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-2-(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-3-[(1-hydroxyhexylidene)amino]propanoic acid

C46H72N8O13 (944.5218582)

(2s,5r,8s,11r,15s,18s,19s,22r)-3,6,9,13,16,20-hexahydroxy-2-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,19-trimethyl-8-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C51H71N7O14 (1005.5058746)

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-8-[3-(4-hydroxyphenyl)propyl]-18-[(5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C54H76N10O13 (1072.5593046)

(4s)-4-[(1-hydroxyoctylidene)amino]-4-{[(2s,5s,8s,11r,12s,15s,18s,21r)-6,13,16,21-tetrahydroxy-5,15-bis[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-2-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}butanoic acid

C52H75N7O14 (1021.537173)

(5r,11r,12s,15s,18s,19s,22r)-3,6,9,13,16,20-hexahydroxy-8-(1h-indol-3-ylmethyl)-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C54H72N8O12 (1024.5269432)

11-isopropyl-4,7-dimethyl-18-(sec-butyl)-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol

C24H32N6O5S (516.2154782)

(5r,8s,11r,12s,15s,18s,19s,22r)-5-benzyl-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C55H78N10O12 (1070.5800388)

[(3s,6s,12s,15s,18s,21s,24s,29as)-18-[(4-{[(2z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)methyl]-1,4,7,10,13,16,19,22-octahydroxy-24-(c-hydroxycarbonimidoylmethyl)-6-(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-12-isopropyl-3-[2-(methylsulfanyl)ethyl]-25-oxo-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-15-yl]acetic acid

C56H78N10O15S (1162.5368558)

(2s,3as,6r,7as)-n-[(2s)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2r)-2-{[(2r)-3-[3-chloro-4-(sulfooxy)phenyl]-1,2-dihydroxypropylidene]amino}-4-methylpentanoyl]-6-hydroxy-octahydroindole-2-carboximidic acid

C30H45ClN6O10S (716.2606260000001)

2-({2-[(2-{2-[(3-amino-1,2-dihydroxydecylidene)amino]-3-hydroxy-n-methylbutanamido}-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene}amino)-3-(4-hydroxyphenyl)propanoic acid

C39H59N5O10 (757.4261714)

(2s)-n-[(2s,5s,8s,11r,12s,15s)-8-[(2s)-butan-2-yl]-6,13,16,21-tetrahydroxy-5,15-bis[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-{[(2r)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}pentanediimidic acid

C54H72N8O15 (1072.5116882)

2-({[(2s)-1-[(2s)-2-[(2s)-2-{[(2r,3r)-10-chloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-(4-hydroxyphenyl)propanoic acid

C41H60ClN5O9 (801.407934)

4,4-dichloro-n-{5-chloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl}-n,3-dimethylbutanamide

C19H28Cl3N3O2S (467.09677180000006)

2-{5-[n'-(6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl)carbamimidamido]-n-methyl-2-(methylamino)pentanamido}-5-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]-n-[1-(sulfooxy)-1-[4-(sulfooxy)-3-[(sulfooxy)methyl]phenyl]propan-2-yl]pentanimidic acid

C39H67N9O15S3 (997.3918551999999)

(2s)-2-({[(3s,6s,9s,12s,15r)-3-[(2s)-butan-2-yl]-2,5,11,14-tetrahydroxy-6-[2-(4-hydroxyphenyl)ethyl]-12-isopropyl-7-methyl-8-oxo-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-5-carbamimidamidopentanoic acid

C45H68N10O9 (892.5170478000001)

n-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-(2-{[3-(3,5-dichloro-4-hydroxyphenyl)-1,2-dihydroxypropylidene]amino}-4-methylpentanoyl)-6-hydroxy-octahydroindole-2-carboximidic acid

C30H44Cl2N6O7 (670.2648374)

(2r)-4-{[(2s,5s,8s,11s,12s,18s)-5-benzyl-8-[(2s)-butan-2-yl]-6,13,16,21-tetrahydroxy-15-[(4-hydroxyphenyl)methyl]-2-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-2-{[(2s)-1-hydroxy-2-[(1-hydroxybutylidene)amino]-3-(4-hydroxyphenyl)propylidene]amino}butanoic acid

C57H76N8O15 (1112.5429866)

(2s,3as,6r,7as)-n-(4-carbamimidamidobutyl)-1-[(2r)-2-{[(2r)-3-(3-chloro-4-hydroxyphenyl)-1,2-dihydroxypropylidene]amino}-3-methylpentanoyl]-6-(sulfooxy)-octahydroindole-2-carboximidic acid

C29H45ClN6O9S (688.2657110000001)

n-(1-carbamimidoyl-2-ethoxypiperidin-3-yl)-1-(2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-(4-hydroxyphenyl)propanoyl)-6-hydroxy-octahydroindole-2-carboximidic acid

C35H48N6O8 (680.3533448000001)

(2r)-n-[(1s)-1-[(4-carbamimidamidobutyl)-c-hydroxycarbonimidoyl]-2-phenylethyl]-2-{[(2r)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-methylpentanimidic acid

C29H42N6O5 (554.3216522)

(2s)-4-{[(2s,5s,8s,11r,12s,15s,18s,21r)-5-benzyl-8-[(2s)-butan-2-yl]-6,13,16,21-tetrahydroxy-15-{[(1s,4r)-4-hydroxycyclohex-2-en-1-yl]methyl}-2-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-2-{[(2s)-1-hydroxy-2-[(1-hydroxybutylidene)amino]-3-(4-hydroxyphenyl)propylidene]amino}butanoic acid

C57H80N8O15 (1116.5742850000001)

(2s)-2-({[(2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-(4-hydroxyphenyl)propanoic acid

C37H61N5O8 (703.4519906)

1-[2-(2-{[1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido)-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

C32H52N4O7 (604.3835802)

4-{[15-(4-aminobutyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-2-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-4-[(1-hydroxyhexylidene)amino]butanoic acid

C47H74N8O13 (958.5375074)

6-[(1r,2s)-1-hydroxy-2-{[(2s,3s,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}propyl]-2-imino-1h-pteridin-4-ol

C18H27N5O8 (441.18595419999997)

(2s,3as,6r,7as)-n-(4-carbamimidamidobutyl)-1-[(2r,3r)-2-{[(2r)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-methylpentanoyl]-6-(sulfooxy)-octahydroindole-2-carboximidic acid

C29H46N6O9S (654.3046826)

2-({[(3s,6s,9s,12s,15r)-3-benzyl-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-12-isopropyl-6,7-dimethyl-8-oxo-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-(1h-indol-3-yl)propanoic acid

C46H58N8O9 (866.4326538)

(2s)-2-({[(1s,4s,10s,13s,19s,22s,25s,29r,30s,33s,44s)-30-{[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}-2,11,21,24,31,34,41,46,48-nonahydroxy-4-[(4-hydroxyphenyl)methyl]-22-(1h-indol-3-ylmethyl)-29-methyl-33-(2-methylpropyl)-5,16,27-trioxo-15,28-dioxa-3,6,12,20,23,32,35,40,45,47-decaazatetracyclo[17.16.11.2¹³,²⁵.0⁶,¹⁰]octatetraconta-2,11,20,23,31,34,40,45,47-nonaen-44-yl](hydroxy)methylidene}amino)-3-phenylpropanoic acid

C72H94N14O19 (1458.6819334)

(2s)-1-[(2s)-2-{[(2s)-1-hydroxy-2-[(2-methylbut-3-en-2-yl)amino]-3-phenylpropylidene]amino}-3-phenylpropanoyl]-n-[(1r)-1-[4-(methoxycarbonyl)-1,3-thiazol-2-yl]-2-methylpropyl]pyrrolidine-2-carboximidic acid

C37H47N5O5S (673.3297732)

(2s)-2-{[(2s)-2-[(2s,3s)-2-[(2s)-2-{[1,2-dihydroxy-3-(methylamino)octylidene]amino}-n,3-dimethylbutanamido]-n,3-dimethylpentanamido]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-(4-hydroxyphenyl)propanoic acid

C40H61N5O9 (755.4469056)

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-22-[(2-hydroxypropoxy)carbonyl]-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11-carboxylic acid

C52H80N10O13 (1052.590603)

3-[(1r,4s,10s,16s,19s,22s,28s,31s,34s,40s,43s,46s)-46-(3-carbamimidamidopropyl)-2,5,8,17,20,23,26,29,32,35,38,41,44,47-tetradecahydroxy-34-(c-hydroxycarbonimidoylmethyl)-19,40-bis[(1r)-1-hydroxyethyl]-4,10,22-tris(2-methylpropyl)-31-[2-(methylsulfanyl)ethyl]-11-oxo-50,51-dithia-3,6,9,12,18,21,24,27,30,33,36,39,42,45,48-pentadecaazatricyclo[26.20.4.0¹²,¹⁶]dopentaconta-2,5,8,17,20,23,26,29,32,35,38,41,44,47-tetradecaen-43-yl]propanoic acid

C63H105N19O20S3 (1543.6945050000002)

(2s)-2-[(2s)-5-{n'-[(2z)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]carbamimidamido}-n-methyl-2-(methylamino)pentanamido]-5-[n'-(3-methylbut-2-en-1-yl)carbamimidamido]-n-[(1r,2r)-1-(sulfooxy)-1-[4-(sulfooxy)-3-[(sulfooxy)methyl]phenyl]propan-2-yl]pentanimidic acid

C39H67N9O15S3 (997.3918551999999)

3,6,9,13,16,20-hexahydroxy-8-(1h-indol-3-ylmethyl)-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C51H66N8O12 (982.4799956)

(3s)-3-{[(2s,5s,8s,11r,12s,15s,18s,21r)-2-benzyl-8-[(2s)-butan-2-yl]-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-3-[(1-hydroxyethylidene)amino]propanoic acid

C46H64N10O13 (964.4654094)

2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-n-{6,13,16,21-tetrahydroxy-5,15-bis[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,9,22-trioxo-8-(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl}pentanediimidic acid

C54H72N8O15 (1072.5116882)

(2r)-n-[(2s,5s,8s,11r,12s,15s,18s,21r)-5-benzyl-2,8-bis[(2s)-butan-2-yl]-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

C40H63N9O14S (925.4214978)

(2s,3as,6s,7as)-1-[(2r)-2-{[(2r)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-phenylpropanoyl]-6-hydroxy-octahydroindole-2-carboximidic acid

C27H33N3O6 (495.23692380000006)

2-[({1-[2-(2-{2-[(3-amino-10-chloro-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-3-(4-hydroxyphenyl)propanoic acid

C45H67ClN6O10 (886.4606952)

7-methyl-4,18-bis(sec-butyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-2,5(24),9,12(23),14,16,19(22)-heptaene-2,9,16-triol

C24H34N6O4S2 (534.2082844)

n-[2,5-dibenzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-4,11-dimethyl-3,9,22-trioxo-8-(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

C43H61N9O14S (959.4058486)

n-[5-benzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-4,11-dimethyl-3,9,22-trioxo-2,8-bis(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-3-hydroxy-2-(sulfooxy)propanimidic acid

C40H63N9O14S (925.4214978)

(2s)-n-[(2s,8s,11r,12s,15s,18s,21r)-5-benzyl-8-[(2s)-butan-2-yl]-6,13,16,21-tetrahydroxy-15-[(4-hydroxyphenyl)methyl]-2-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}pentanediimidic acid

C53H70N8O14 (1042.501124)

n-[5-benzyl-15-(3-carbamimidamidopropyl)-6,13,16-trihydroxy-21-methoxy-4,11-dimethyl-3,9,22-trioxo-2,8-bis(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2,3-dihydroxypropanimidic acid

C41H65N9O11 (859.48033)

2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-[(1z)-4-(methylamino)cyclohex-2-en-1-ylidene]propylidene}amino)-3-[(1e)-4-[(1-hydroxyethylidene)amino]cyclohex-2-en-1-ylidene]propanoic acid

C23H32N4O5 (444.2372582)

n-(4-carbamimidamidobutyl)-1-(2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-methylpentanoyl)-6-(sulfooxy)-octahydroindole-2-carboximidic acid

C29H46N6O9S (654.3046826)

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,9,13,16,20-pentahydroxy-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,7,12,19-pentamethyl-2-methylidene-6,25-dioxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,9,13,16,20-pentaene-11,22-dicarboxylic acid

C54H76N10O13 (1072.5593046)

1-(2-{2-[(3-amino-8-chloro-1,2-dihydroxyoctylidene)amino]-3-(4-hydroxyphenyl)-n-methylpropanamido}-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carboxylic acid

C32H43ClN4O8 (646.2769268000001)

(2r)-n-[(2s,5s,8s,11r,12s,15s,18r,21r)-15-(3-carbamimidamidopropyl)-5-[(3-chloro-4-hydroxyphenyl)methyl]-6,13,16,21-tetrahydroxy-4,11-dimethyl-3,9,22-trioxo-2,8-bis(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

C40H62ClN9O15S (975.3774411999999)

(2s,3r,5r,6e,8r,9s)-10-[(2r,3r,4r,5s,6r)-6-[(1s,2r,3s,4s,5r,11s)-12-[(1r,3s,5s,7r)-5-[(8s)-9-[(2r,3r,4r,5r,6s)-6-[(2s,3s,4e,6s,9r,10r)-10-[(2s,4r,5s,6r)-6-[(2r,3r)-4-[(2r,3s,4r,5r,6s)-6-[(3z,5e,8r,9s,10r,12z,17s,18r,19r,20r)-21-[(2r,3r,4r,5s,6r)-6-[(1z,3r,4r)-5-[(1s,3r,5r,7r)-7-{2-[(2r,3r,5s)-5-(aminomethyl)-3-hydroxyoxolan-2-yl]ethyl}-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxypent-1-en-1-yl]-3,4,5-trihydroxyoxan-2-yl]-8,9,10,17,18,19-hexahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trien-1-yl]-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydroxybutyl]-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-en-1-yl]-3,4,5,6-tetrahydroxyoxan-2-yl]-8-hydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyldodecyl]-3,4,5-trihydroxyoxan-2-yl]-2,5,8,9-tetrahydroxy-n-[(1e)-2-[(3-hydroxypropyl)-c-hydroxycarbonimidoyl]eth-1-en-1-yl]-3,7-dimethyldec-6-enimidic acid

C129H223N3O53 (2662.4846028)

(2r)-n-[(2s,5s,8s,11r,12s,15s,18s,21r)-2,8-bis[(2s)-butan-2-yl]-15-(3-carbamimidamidopropyl)-5-[(3-chloro-4-hydroxyphenyl)methyl]-6,13,16,21-tetrahydroxy-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

C40H62ClN9O15S (975.3774411999999)

11-isopropyl-4,7,14-trimethyl-18-(sec-butyl)-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),16,19(22)-heptaene-2,9,16-triol

C25H36N6O5S (532.2467766)

2-[({1-[2-(2-{[10-chloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido)-4-methylpentanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-3-(4-hydroxyphenyl)propanoic acid

C41H60ClN5O9 (801.407934)

n-{1-[(4-carbamimidamidobutyl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-methylpentanimidic acid

C29H42N6O5 (554.3216522)

(5r,8s,11r,12s,15s,18s,19s,22r)-3,6,9,13,16,20-hexahydroxy-8-[(4-hydroxyphenyl)methyl]-15-(2-methanesulfinylethyl)-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C51H69N7O14S (1035.4622974)

(3s)-3-{[(2s,5s,8s,11r,12s,15s,18s,21r)-2-[(2s)-butan-2-yl]-6,13,16,21-tetrahydroxy-15-[(4-hydroxyphenyl)methyl]-5-(1h-indol-3-ylmethyl)-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-3-[(1-hydroxyhexylidene)amino]propanoic acid

C51H70N8O13 (1002.506209)

(2s)-4-{[(2s,5s,8s,11s,12s,15s,18s,21r)-5-benzyl-8-[(2s)-butan-2-yl]-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-2-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-2-{[(2s)-1-hydroxy-2-[(1-hydroxybutylidene)amino]-3-(4-hydroxyphenyl)propylidene]amino}butanoic acid

C54H79N11O14 (1105.5807674)

2-[33,36-dibenzyl-2,9,12,19,22,25,28,31,34,37-decahydroxy-27-(hydroxymethyl)-11-[(4-hydroxyphenyl)methyl]-4-(2-methylpropyl)-39-(sec-butyl)-6,16,41-trithia-3,10,13,20,23,26,29,32,35,38,43,44,45-tridecaazatetracyclo[38.2.1.1⁵,⁸.1¹⁵,¹⁸]pentatetraconta-1(42),2,5(45),7,9,12,15(44),17,19,22,25,28,31,34,37,40(43)-hexadecaen-14-yl]ethanimidic acid

C61H72N14O13S3 (1304.4565182000001)

4-{[15-(4-aminobutyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,9,22-trioxo-8-(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-4-[(1-hydroxyoctylidene)amino]butanoic acid

C50H80N8O13 (1000.584455)

3-{[15-(4-aminobutyl)-5-benzyl-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-2-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-3-[(1-hydroxyhexylidene)amino]propanoic acid

C46H72N8O12 (928.5269432)

(2s,3as,6r,7as)-n-(1-carbamimidoylpyrrolidin-2-yl)-1-[(2r)-2-{[(2r)-3-(3-chloro-4-hydroxyphenyl)-1,2-dihydroxypropylidene]amino}-4-methylpentanoyl]-6-hydroxy-octahydroindole-2-carboximidic acid

C29H43ClN6O6 (606.2932448)

n-[15-(3-carbamimidamidopropyl)-5-[(3-chloro-4-hydroxyphenyl)methyl]-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-2-(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2,3-bis(sulfooxy)propanimidic acid

C39H60ClN9O18S2 (1041.318609)

n-{3-[12-amino-5-benzyl-6,13,16-trihydroxy-21-methoxy-4,11-dimethyl-3,9,22-trioxo-2,8-bis(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-15-yl]propyl}guanidine

C38H61N9O8 (771.4642866)

(2r)-n-[(2s,5s,8s,11r,12s,15s,18s,21r)-2,8-bis[(2s)-butan-2-yl]-15-(3-carbamimidamidopropyl)-5-[(3-chloro-4-hydroxyphenyl)methyl]-6,13,16,21-tetrahydroxy-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2,3-dihydroxypropanimidic acid

C40H62ClN9O12 (895.4206241999999)

2-({[1-(2-{2-[(3-amino-10-chloro-1,2-dihydroxydecylidene)amino]-3-(4-hydroxyphenyl)-n-methylpropanamido}-4-methylpentanoyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-(4-hydroxyphenyl)propanoic acid

C40H58ClN5O9 (787.3922848)

n-[5-benzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-2-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

C39H61N9O14S (911.4058486)

(2s,5r,8s,11r,15s,18s,19s,22r)-8-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-2-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,19-trimethyl-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C51H72N10O14 (1048.5229212)

4-[(1-hydroxyhexylidene)amino]-4-({6,13,16,21-tetrahydroxy-5,15-bis[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-2-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl}-c-hydroxycarbonimidoyl)butanoic acid

C50H71N7O14 (993.5058746)

(5r,8s,11r,12s,15s,18s,19s,22r)-8-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C49H74N10O12 (994.5487404)

1-(2-{2-[(3-amino-8,8-dichloro-1,2-dihydroxyoctylidene)amino]-3-(4-hydroxyphenyl)-n-methylpropanamido}-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carboxylic acid

C32H42Cl2N4O8 (680.2379552000001)

15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-18-(6-hydroxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C48H72N10O12 (980.5330912000001)

1-[2-(2-{[10-chloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido)-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

C32H51ClN4O7 (638.3446086000001)

(2s)-n-[(2s,5s,8r,11s,12s,18s,21r)-2,15-dibenzyl-8-[(2s)-butan-2-yl]-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2,3-dihydroxypropanimidic acid

C46H58N6O12 (886.4112508000001)

(3as,7as)-1-[(2s)-2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-phenylpropanoyl]-6-hydroxy-n-{4-[n-(3-methylbut-2-en-1-yl)carbamimidamido]butyl}-octahydroindole-2-carboximidic acid

C37H52N6O6 (676.3948132)

(2r)-n-[(2s,5s,8s,11s,12s,15s,18s,21r)-5-benzyl-2-[(2s)-butan-2-yl]-6,13,16-trihydroxy-8-isopropyl-21-methoxy-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}butanediimidic acid

C50H72N8O13 (992.5218582)

(2s)-n-[(2s,5s,8s,11r,12s,15s,18s,21r)-5-benzyl-2,15-bis[(2s)-butan-2-yl]-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-{[(2r)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}butanediimidic acid

C49H70N8O13 (978.506209)

n-[15-(4-aminobutyl)-2-benzyl-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-[(1-hydroxyethylidene)amino]-4-methylpentanimidic acid

C47H68N8O11 (920.5007298)

(5r,8s,11r,12s,15s,18s,19s,22r)-15-ethyl-3,6,9,13,16,20-hexahydroxy-8-(1h-indol-3-ylmethyl)-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C52H68N8O12 (996.4956448)

[(3s,9s,12s,15s,17s,25r,28s,31s,34s,40s,43r,46s,48s,56s)-11,14,30,33,36,39,42,45-octahydroxy-28,31,40-tris(c-hydroxycarbonimidoylmethyl)-9-[(1r)-1-hydroxyethyl]-12-(hydroxymethyl)-17,48-bis(3-methylbut-2-en-1-yl)-43-(2-methylpropyl)-2,8,27-trioxo-1,7,10,13,24,26,29,32,35,38,41,44,55-tridecaazaoctacyclo[44.10.0.0³,⁷.0¹⁵,²⁶.0¹⁷,²⁵.0¹⁸,²³.0⁴⁸,⁵⁶.0⁴⁹,⁵⁴]hexapentaconta-10,13,18,20,22,29,32,35,38,41,44,49,51,53-tetradecaen-34-yl]acetic acid

C68H92N16O18 (1420.6775172)

(2r)-n-[(2s,5s,8s,11r,12s,15s,18s,21r)-2,8-bis[(2s)-butan-2-yl]-15-(3-carbamimidamidopropyl)-5-[(3-chloro-4-methoxyphenyl)methyl]-6,13,16,21-tetrahydroxy-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

C41H64ClN9O15S (989.3930903999999)

n-[5-benzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-2-isopropyl-4,11-dimethyl-3,9,22-trioxo-8-(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

C39H61N9O14S (911.4058486)

n-(4-carbamimidamidobutyl)-1-(2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-phenylpropanoyl)-6-hydroxy-octahydroindole-2-carboximidic acid

C32H44N6O6 (608.3322164000001)

(2s)-n-[(2s,5s,8s,11r,12s,15s,18s)-5-benzyl-6,13,16-trihydroxy-8-isopropyl-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16,20-tetraen-12-yl]-2-{[(2r)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}butanediimidic acid

C49H68N8O12 (960.4956448)

2-{[2-({[1-(2-{[1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-hydroxybutanoyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-(1h-indol-2-yl)propanoic acid

C40H56N6O9 (764.4108566000001)

2-({[(2s)-1-[(2s)-2-[(2s)-2-{[(2r,3r)-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-(4-hydroxyphenyl)propanoic acid

C41H61N5O9 (767.4469056)

(7s,10s,13s,16s)-10-benzyl-16-[(2s)-butan-2-yl]-7,13-bis[(1r)-1-hydroxyethyl]-18-thia-3,6,9,12,15,20-hexaazabicyclo[15.2.1]icosa-1(19),2,5,8,11,14,17(20)-heptaene-2,5,8,11,14-pentol

C28H38N6O7S (602.2522558000001)

n-[(2s,5s,8s,11r,12s,15s,18s,21r)-5-benzyl-2,8-bis[(2s)-butan-2-yl]-6,13,16,21-tetrahydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

C41H65N7O14S (911.430999)

(2s)-n-[(2s,5s,8s,11r,12s,15s,18s,21r)-5-benzyl-8-[(2s)-butan-2-yl]-6,13,16,21-tetrahydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-{[(2r)-1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}pentanediimidic acid

C54H72N8O14 (1056.5167732)

(2r)-n-[(2s,5s,8s,11r,12s,15s,18r,21r)-15-(3-carbamimidamidopropyl)-5-[(3-chloro-4-hydroxyphenyl)methyl]-6,13,16,21-tetrahydroxy-4,11-dimethyl-3,9,22-trioxo-2,8-bis(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2,3-dihydroxypropanimidic acid

C40H62ClN9O12 (895.4206241999999)

(2s)-n-[(2s,5s,8r,11s,12s,15s,18s,21r)-5-benzyl-2,8-bis[(2r)-butan-2-yl]-6,13,16,21-tetrahydroxy-15-[2-(4-hydroxyphenyl)ethyl]-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

C44H62N6O15S (946.3993662)

(2r)-2-({[(2s)-1-[(2s)-2-[(2r)-2-{[(2s,3s)-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-(4-hydroxyphenyl)propanoic acid

C41H61N5O9 (767.4469056)

(2r)-n-[(2s,5s,8s,11r,12s,15s,18s,21r)-2,5-dibenzyl-8-[(2s)-butan-2-yl]-6,13,16-trihydroxy-21-methoxy-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2,3-dihydroxypropanimidic acid

C44H62N6O11 (850.4476342)

(2r)-2-({[(1s,4s,10s,13s,19s,22s,25s,29r,30s,33s,44s)-33-benzyl-2,11,21,24,31,34,41,46,48-nonahydroxy-30-({1-hydroxy-2-[(1-hydroxy-2-{[(2s)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-(4-hydroxyphenyl)propylidene]amino}ethylidene)amino]ethylidene}amino)-4-[(4-hydroxyphenyl)methyl]-22-(1h-indol-3-ylmethyl)-29-methyl-5,16,27-trioxo-15,28-dioxa-3,6,12,20,23,32,35,40,45,47-decaazatetracyclo[17.16.11.2¹³,²⁵.0⁶,¹⁰]octatetraconta-2,11,20,23,31,34,40,45,47-nonaen-44-yl](hydroxy)methylidene}amino)-3-(4-hydroxyphenyl)propanoic acid

C85H100N16O24 (1728.709604)

n-[5-benzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-4,11-dimethyl-3,9,22-trioxo-2,8-bis(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-hydroxy-3-(sulfooxy)propanimidic acid

C40H63N9O14S (925.4214978)

(5r,8s,11r,12s,15s,18s,19s,22r)-8,15-bis(2-carboxyethyl)-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C47H65N7O16 (983.448757)

(3s)-3-{[(2s,5s,8s,11r,12s,15s,18s,21r)-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-2-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-3-[(1-hydroxyhexylidene)amino]propanoic acid

C46H72N10O13 (972.5280062)

(2s,3s)-3-hydroxy-1,4-diphenylbutan-2-yl acetate

C18H20O3 (284.14123700000005)

(5r,8s,11r,15s,18s,19s,22r)-8-(3-carbamimidamidopropyl)-15-(2-carboxyethyl)-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,19-trimethyl-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C47H68N10O14 (996.4916228000001)

4-{[2-benzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-4-[(1-hydroxyoctylidene)amino]butanoic acid

C52H76N10O13 (1048.5593046)

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,12,19-trimethyl-2-methylidene-5-(2-methylpropyl)-25-oxo-8-(2-phenylethyl)-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C56H80N10O12 (1084.595688)

(5r,8s,11r,15s,18s,19s,22r)-8-(3-carbamimidamidopropyl)-15-ethyl-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,19-trimethyl-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C46H68N10O12 (952.5017928000001)

n-[2,5-dibenzyl-6,13,16,21-tetrahydroxy-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-8-(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2,3-dihydroxypropanimidic acid

C43H60N6O11 (836.431985)

4,4-dichloro-n-{5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl}-3-methylbutanimidic acid

C18H25Cl4N3O2S (487.04215100000005)

(2s)-2-{[(2s)-2-[(2s,3s)-3-amino-2-hydroxy-n-methyldecanamido]-1-hydroxy-4-methanesulfinylbutylidene]amino}-3-(4-hydroxyphenyl)propanoic acid

C25H41N3O7S (527.2665076000001)

(5r,8s,11r,12s,15s,18s,19s,22r)-3,6,9,13,16,20-hexahydroxy-8-(1h-indol-3-ylmethyl)-15-isopropyl-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C53H70N8O12 (1010.511294)

2-[({1-[2-(2-{2-[(3-amino-10,10-dichloro-1,2-dihydroxydecylidene)amino]-n,3-dimethylbutanamido}-n,3-dimethylbutanamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-3-(4-hydroxyphenyl)propanoic acid

C45H66Cl2N6O10 (920.4217236000002)

1-{2-[2-({2-[(3-amino-10-chloro-1-hydroxydecylidene)amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene}amino)-n,4-dimethylpentanamido]-3-(4-hydroxyphenyl)propanoyl}pyrrolidine-2-carboxylic acid

C40H58ClN5O8 (771.3973698)

2-{[1-hydroxy-1-(4-hydroxy-2-imino-1h-pteridin-6-yl)propan-2-yl]oxy}-6-(methoxymethyl)oxane-3,4,5-triol

C16H23N5O8 (413.1546558)

15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-8-[(4-hydroxyphenyl)methyl]-18-[(1e,3e)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,19-trimethyl-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C51H70N10O13 (1030.512357)

(2r)-2-({[(2s)-1-[(2s)-2-[(2r)-2-{[(2s,3s)-10,10-dichloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-(4-hydroxyphenyl)propanoic acid

C41H59Cl2N5O9 (835.3689624000001)

(5r,8s,11r,12s,15s,18s,19s,22r)-8-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-15-isopropyl-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C48H72N10O12 (980.5330912000001)

(5-{n-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]carbamimidamido}-1-oxo-1-{[1-(sulfonatooxy)-1-[4-(sulfooxy)-3-[(sulfooxy)methyl]phenyl]propan-2-yl]oxy}pentan-2-yl)trimethylazanium

C29H48N4O14S3 (772.2329027999999)

(2r)-n-[5-benzyl-15-(3-carbamimidamidopropyl)-6,13,16-trihydroxy-21-methoxy-4,11-dimethyl-3,9,22-trioxo-2,8-bis(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2,3-bis(sulfooxy)propanimidic acid

C41H65N9O17S2 (1019.3939640000001)

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-8-(2-carboxyethyl)-3,6,9,13,16,20-hexahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C48H70N10O14 (1010.5072720000001)

(2s)-1-[(2s)-2-[(2s,3r)-2-{[(2r,3r)-3-amino-10-chloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

C28H51ClN4O6 (574.3496936)

(2s)-n-[(2s,8s,11r,12s,15s,18s,21r)-5-benzyl-2-[(2s)-butan-2-yl]-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}butanediimidic acid

C49H70N8O13 (978.506209)

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20,25-heptahydroxy-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-5,12,19-trimethyl-8-(2-methylbutyl)-2-methylidene-1,4,7,10,14,17,21-heptaazacyclopentacosa-1(25),3,6,9,13,16,20-heptaene-11,22-dicarboxylic acid

C49H74N10O12 (994.5487404)

(5r,8s,11r,15s,18s,19s,22r)-3,6,9,13,16,20-hexahydroxy-15-[(4-hydroxyphenyl)methyl]-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,19-trimethyl-8-(2-methylbutyl)-2-methylidene-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C52H71N7O13 (1001.5109596)

[2,9,16-trihydroxy-4,7-dimethyl-11-(sec-butyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),7,9,12(23),14,16,19(22)-nonaen-18-yl]acetic acid

C23H26N6O6S2 (546.1355176000001)

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-18-[(1e)-2-{3-[(2r,3s)-3-methoxy-4-phenylbutan-2-yl]-2-methyloxiran-2-yl}ethenyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C49H74N10O13 (1010.5436554)

n-(1-{[2-benzyl-15-(3-carbamimidamidopropyl)-6,13,16,21-tetrahydroxy-5-[(4-hydroxyphenyl)methyl]-8-isopropyl-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-4-methoxy-4-oxobutyl)octanimidic acid

C53H78N10O13 (1062.5749538)

(2s)-1-[(2s)-2-[(2s,3s)-2-{[(2r,3r)-3-amino-10-chloro-1,2-dihydroxydecylidene]amino}-n,3-dimethylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

C28H51ClN4O6 (574.3496936)

n-[(1r)-1-{[(2s,5s,8s,11s,12s,15s,18s,21r)-8-[(2r)-butan-2-yl]-2-[(2s)-butan-2-yl]-15-(3-carbamimidamidopropyl)-5-[(3-chloro-4-hydroxyphenyl)methyl]-6,13,16-trihydroxy-21-methoxy-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-c-hydroxycarbonimidoyl}-3-methoxy-3-oxopropyl]hexanimidic acid

C49H77ClN10O13 (1048.5359822)

2-{[2-({[1-(2-{[1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-hydroxybutanoyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-(4-hydroxyphenyl)propanoic acid

C38H55N5O10 (741.394873)

(2s,3s)-2-[bis(3-methylbut-2-en-1-yl)amino]-n-[(2s)-1-[(2s)-2-[4-(methoxycarbonyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylpentanimidic acid

C30H48N4O4S (560.3396088)

(2r)-n-[(2s,5s,8s,11r,12s,15s,18s,21r)-5-benzyl-2,8-bis[(2s)-butan-2-yl]-15-(3-carbamimidamidopropyl)-6,13,16-trihydroxy-21-methoxy-4,11-dimethyl-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2,3-dihydroxypropanimidic acid

C41H65N9O11 (859.48033)