Exact Mass: 584.2773890000001

lappacontine

C32H44N2O8 (584.3097504)

D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents > D000700 - Analgesics Lappaconitine is a diterpenoid.

Bilirubin

C33H36N4O6 (584.2634716)

Bilirubin is a yellow bile pigment that is a degradation product of heme. It occurs in the normal catabolic pathway that breaks down heme in vertebrates. This catabolism is a necessary process in the bodys clearance of waste products that arise from the destruction of aged or abnormal red blood cells. Bilirubin has been found in all vertebrates and in certain plants including Strelitzia nicolai (PMID: 28573242). Bilirubin levels in humans are elevated in certain diseases such as jaundice and liver disease and it is responsible for the yellow color of bruises and the yellow discoloration in jaundice. Bilirubin breakdown products, such as stercobilin, cause the brown color of feces. A different breakdown product, urobilin, is the main component of the straw-yellow color in urine. Bilirubin consists of an open chain of four pyrroles (tetrapyrrole). It is formed by oxidative cleavage of a porphyrin in heme, which leads to biliverdin, a green tetrapyrrolic bile pigment that is also a product of heme catabolism. Biliverdin is then reduced to bilirubin via biliverdin reductase. After conjugation with glucuronic acid, bilirubin can be excreted in the urine. Bilirubin is structurally similar to the pigment phycobilin used by certain algae to capture light energy, and to the pigment phytochrome used by plants to sense light. Elevated bilirubin levels in humans are associated with Crigler-Najjar syndrome type I, which is an inborn error of metabolism. Crigler-Najjar syndrome is a rare genetic disorder characterized by an inability to properly convert and clear bilirubin from the body. Affected individuals cannot convert unconjugated bilirubin to the conjugated form because they lack a specific liver enzyme required to break down (metabolize) bilirubin. Since they cannot convert bilirubin, they develop abnormally high levels of unconjugated bilirubin in the blood (hyperbilirubinemia). Crigler-Najjar syndrome is caused by mutations in the UGT1A1 gene. The hallmark finding of Crigler-Najjar syndrome is a persistent yellowing of the skin, mucous membranes and whites of the eyes (jaundice). Elevation of both alanine aminotransferase and bilirubin levels in serum or plasma can be indicative of serious liver injury. High levels of bilirubin are indicative of jaundice, which is easily recognizable due to a yellowing of the skin and eyes. Bilirubin is also an antioxidant. Bilirubins antioxidant activity may be particularly important in the brain, where it prevents excitotoxicity and neuronal death by scavenging superoxide during N-methyl-D-aspartic acid neurotransmission (PMID: 31353321). Bilirubin is a bile pigment that is a degradation product of heme. In particular, bilirubin is a yellow breakdown product of normal heme catabolism. Its levels are elevated in certain diseases and it is responsible for the yellow color of bruises. Bilirubin is an excretion product, and the body does not control levels. Bilirubin levels reflect the balance between production and excretion. Thus, there is no "normal" level of bilirubin. Bilirubin consists of an open chain of four pyrroles (tetrapyrrole); by contrast, the heme molecule is a closed ring of four pyrroles, called porphyrin. -- Wikipedia [HMDB]. Bilirubin is found in many foods, some of which are barley, mustard spinach, other bread, and sesbania flower. Bilirubin (BR) (from the Latin for "red bile") is a red-orange compound that occurs in the normal catabolic pathway that breaks down heme in vertebrates. This catabolism is a necessary process in the body's clearance of waste products that arise from the destruction of aged or abnormal red blood cells.[3] In the first step of bilirubin synthesis, the heme molecule is stripped from the hemoglobin molecule. Heme then passes through various processes of porphyrin catabolism, which varies according to the region of the body in which the breakdown occurs. For example, the molecules excreted in the urine differ from those in the feces.[4] The production of biliverdin from heme is the first major step in the catabolic pathway, after which the enzyme biliverdin reductase performs the second step, producing bilirubin from biliverdin.[5][6] Ultimately, bilirubin is broken down within the body, and its metabolites excreted through bile and urine; elevated levels may indicate certain diseases.[7] It is responsible for the yellow color of healing bruises and the yellow discoloration in jaundice. The bacterial enzyme bilirubin reductase is responsible for the breakdown of bilirubin in the gut.[8] One breakdown product, urobilin, is the main component of the straw-yellow color in urine.[9] Another breakdown product, stercobilin, causes the brown color of feces. Although bilirubin is usually found in animals rather than plants, at least one plant species, Strelitzia nicolai, is known to contain the pigment.[10] Bilirubin is created by the activity of biliverdin reductase on biliverdin, a green tetrapyrrolic bile pigment that is also a product of heme catabolism. Bilirubin, when oxidized, reverts to become biliverdin once again. This cycle, in addition to the demonstration of the potent antioxidant activity of bilirubin,[14] has led to the hypothesis that bilirubin's main physiologic role is as a cellular antioxidant.[15][16] Consistent with this, animal studies suggest that eliminating bilirubin results in endogenous oxidative stress.[17] Bilirubin's antioxidant activity may be particularly important in the brain, where it prevents excitotoxicity and neuronal death by scavenging superoxide during N-methyl-D-aspartic acid neurotransmission.[18] Bilirubin in plasma is mostly produced by the destruction of erythrocytes. Heme is metabolized into biliverdin (via heme oxygenase) and then into bilirubin (via biliverdin reductase) inside the macrophages. [11] Bilirubin is then released into the plasma and transported to the liver bound by albumin, since it is insoluble in water in this state. In this state, bilirubin is called unconjugated (despite being bound by albumin). [11] In the liver, unconjugated bilirubin is up-taken by the hepatocytes and subsequently conjugated with glucuronic acid (via the enzyme uridine diphosphate–glucuronyl transferase). In this state, bilirubin is soluble in water and it is called conjugated bilirubin. [11] Conjugated bilirubin is excreted into the bile ducts and enters the duodenum. During its transport to the colon, it is converted into urobilinogen by the bacterial enzyme bilirubin reductase.[8] Most of the urobilinogen is further reduced into stercobilinogen and is excreted through feces (air oxidizes stercobilinogen to stercobilin, which gives feces their characteristic brown color). [11] A lesser amount of urobilinogen is re-absorbed into portal circulation and transferred to the liver. For the most part, this urobilinogen is recycled to conjugated bilirubin and this process closes the enterohepatic circle. There is also an amount of urobilinogen which is not recycled, but rather enters the systemic circulation and subsequently the kidneys, where it is excreted. Air oxidizes urobilinogen into urobilin, which gives urine its characteristic color.[11][19] In parallel, a small amount of conjugated billirubin can also enter the systemic circulation and get excreted through urine. This is exaggerated in various pathological situations.[19]

Ouabain

C29H44O12 (584.2832624)

Ouabain is only found in individuals that have used or taken this drug. It is a cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like digitalis. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-exchanging ATPase. [PubChem]Ouabain inhibits the Na-K-ATPase membrane pump, resulting in an increase in intracellular sodium and calcium concentrations. Increased intracellular concentrations of calcium may promote activation of contractile proteins (e.g., actin, myosin). Ouabain also acts on the electrical activity of the heart, increasing the slope of phase 4 depolarization, shortening the action potential duration, and decreasing the maximal diastolic potential. CONFIDENCE standard compound; INTERNAL_ID 472; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6235; ORIGINAL_PRECURSOR_SCAN_NO 6233 CONFIDENCE standard compound; INTERNAL_ID 472; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6272; ORIGINAL_PRECURSOR_SCAN_NO 6270 CONFIDENCE standard compound; INTERNAL_ID 472; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6219; ORIGINAL_PRECURSOR_SCAN_NO 6216 CONFIDENCE standard compound; INTERNAL_ID 472; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6224; ORIGINAL_PRECURSOR_SCAN_NO 6220 CONFIDENCE standard compound; INTERNAL_ID 472; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6194; ORIGINAL_PRECURSOR_SCAN_NO 6191 C - Cardiovascular system > C01 - Cardiac therapy > C01A - Cardiac glycosides > C01AC - Strophanthus glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins [Raw Data] CB084_Ouabain_pos_50eV_CB000036.txt [Raw Data] CB084_Ouabain_pos_10eV_CB000036.txt [Raw Data] CB084_Ouabain_pos_30eV_CB000036.txt [Raw Data] CB084_Ouabain_pos_20eV_CB000036.txt [Raw Data] CB084_Ouabain_pos_40eV_CB000036.txt D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors

(3Z)-phytochromobilin

C33H36N4O6 (584.2634716)

Caracurine V

C38H40N4O2 (584.31511)

15,16-Dihydrobiliverdin

C33H36N4O6 (584.2634716)

Euphornin

C33H44O9 (584.2985174)

12-Ethyl-8-propyl-3-vinylbacteriochlorophyllide d

C35H36MgN4O3 (584.2637766)

A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of 12-ethyl-8-propyl-3-vinylbacteriochlorophyll d.

(4E,15Z)-Bilirubin

C33H36N4O6 (584.2634716)

(4E,15Z)-Bilirubin IXa belongs to the class of organic compounds known as bilirubins. These are organic compounds containing a dicarboxylic acyclic tetrapyrrole derivative. Bilirubin (BR) is a yellow compound that occurs in the normal catabolic pathway that breaks down heme in vertebrates. (4E,15Z)-Bilirubin IXa is a linear tetrapyrrole, and a product of heme degradation. It is a member of the class of compounds known as biladienes. Biladienes consist of two linear tetrapyrroles in which the carbon bridges contain two more double bonds than bilane. (4E,15Z)-Bilirubin IXa is an isomer of bilirubin, which appears to have antioxidant effects. Bilirubins antioxidant activity may be particularly important in the brain, where it prevents excitotoxicity and neuronal death by scavenging superoxide during N-methyl-D-aspartic acid neurotransmission. (4E,15Z)-Bilirubin IXa is formed by oxidative cleavage of a porphyrin in heme, which first produces biliverdin. Biliverdin is then reduced to bilirubin by biliverdin reductase. Some of the double-bonds in bilirubin isomerize when exposed to light. The E,Z-isomers of bilirubin, such s (4E,15Z)-Bilirubin IXa formed upon light exposure are more soluble than the unilluminated Z,Z-isomer. Altered levels of (4E,15Z)-Bilirubin IXa in human serum have been used as a biomarker of acrylamide exposure (PMID: 28163100). 4E,15Z-Bilirubin IXa is an isomer of bilirubin, which has antioxidative effects. When bilirubin reacts with reactive oxygen species, oxidized metabolites of bilirubin are formed, such as biliverdin and propentdyopents. A decrease in serum bilirubin concentration and an increase in serum and urinary oxidized metabolites of bilirubin may indicate the protective action of bilirubin against reactive oxygen species. (PMID 10986860) [HMDB] COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

Cholic acid glucuronide

C30H48O11 (584.3196458)

Cholic acid glucuronide is the glucuronidated metabolite of cholic acid, one of the four main acids produced by the liver where it is synthesized from cholesterol. Upon formation, the glucuronide is rapidly and effectively cleared from the circulation and excreted via urine. (PMID:4020296) [HMDB] Cholic acid glucuronide is the glucuronidated metabolite of cholic acid, one of the four main acids produced by the liver where it is synthesized from cholesterol. Upon formation, the glucuronide is rapidly and effectively cleared from the circulation and excreted via urine. (PMID:4020296). D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids

Glycosides

C29H44O12 (584.2832624)

Ouabain, a cardiac glycoside similar to digitoxin, is used to treat congestive heart failure and supraventricular arrhythmias due to reentry mechanisms, and to control ventricular rate in the treatment of chronic atrial fibrillation. Glycosides is found in allspice, fig, and apricot. Glycosides is found in allspice. Ouabain, a cardiac glycoside similar to digitoxin, is used to treat congestive heart failure and supraventricular arrhythmias due to reentry mechanisms, and to control ventricular rate in the treatment of chronic atrial fibrillation C - Cardiovascular system > C01 - Cardiac therapy > C01A - Cardiac glycosides > C01AC - Strophanthus glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors

(4E,15E)-Bilirubin

C33H36N4O6 (584.2634716)

(4E,15E)-Bilirubin is an isomer of bilirubin and is less lipophilic and more polar than the naturally occurring Z-Z isomer (PMID: 426785). Bilirubin is a bile pigment that is a degradation product of heme. In particular, bilirubin is a yellow breakdown product of normal heme catabolism. Its levels are elevated in certain diseases and it is responsible for the yellow colour of bruises. Bilirubin is an excretion product and the body does not control its levels. Bilirubin levels reflect the balance between production and excretion. Thus, there is no "normal" level of bilirubin. Bilirubin consists of an open chain of four pyrroles (tetrapyrrole). In contrast, the heme molecule is a closed ring of four pyrroles, called porphyrin (Wikipedia).

Acolongifloriside K

C29H44O12 (584.2832624)

Laniquidar

C37H36N4O3 (584.2787266)

C1744 - Multidrug Resistance Modulator

Lumirubin

C33H36N4O6 (584.2634716)

Sampatrilat

C26H40N4O9S (584.2515870000001)

bilirubin

C33H36N4O6 (584.2634716)

D020011 - Protective Agents > D000975 - Antioxidants COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

Febrifugin A

C32H40O10 (584.2621340000001)

Scutianine K

C34H40N4O5 (584.299855)

Jatamanvaltrate F

C29H44O12 (584.2832624)

Ebracteatoside B

C25H44O15 (584.2680074)

Swietemahonin E

C32H40O10 (584.2621340000001)

Methyl ganoderate F

C33H44O9 (584.2985174)

Briaexcavatolide K

C28H40O13 (584.246879)

Xylogranatin N

C32H40O10 (584.2621340000001)

Granatumin E

C32H40O10 (584.2621340000001)

2-Hydroxy-3-O-tigloylswietenolide

C32H40O10 (584.2621340000001)

Iryantherin C

C35H36O8 (584.2410056)

Amotsangin D

C32H40O10 (584.2621340000001)

renillin A

C29H41ClO10 (584.2388116000001)

iso-Caracurine V

C38H40N4O2 (584.31511)

Cineracipadesin A

C32H40O10 (584.2621340000001)

Chisonimbolinin F

C33H44O9 (584.2985174)

swietmanin E

C32H40O10 (584.2621340000001)

CHEMBL85005

C33H40N6O4 (584.311088)

1-Deacetylnimbolinin B

C33H44O9 (584.2985174)

SCHEMBL13001508

C33H36N4O6 (584.2634716)

3-angeloyl-3-detigloyl-ruageanin B

C32H40O10 (584.2621340000001)

C33H44O9

C33H44O9 (584.2985174)

xylogranatin E

C32H40O10 (584.2621340000001)

hainangranatumin B

C32H40O10 (584.2621340000001)

8,8-bisdihydrosiringenin glucoside

C28H40O13 (584.246879)

30alpha-hydroxyl xylogranatin A

C32H40O10 (584.2621340000001)

Anthracycline C35H36O8

C35H36O8 (584.2410056)

rpr113228

C30H49O9P (584.3114034)

(+)-5,5-Dimethoxy-9-O-??-D-glucopyranosyl secoisolariciresinol

C28H40O13 (584.246879)

Phytochromobilin

C33H36N4O6 (584.2634716)

peddiea factor V2

C32H40O10 (584.2621340000001)

Tri-Ac-23-Methylauricepyrone

C32H40O10 (584.2621340000001)

(3R)-1-octen-3-ol 3-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside|asystoside

C25H44O15 (584.2680074)

Latilagascene D

C36H40O7 (584.2773890000001)

1alpha,14alpha,16beta-trimethoxy-4beta-N-acetylanthroyloxy-6beta,8beta-dihydroxy-N-ethylaconitane|artekorine

C32H44N2O8 (584.3097504)

cipaferen L

C32H40O10 (584.2621340000001)

Moluccensin U

C32H40O10 (584.2621340000001)

Balgacyclamide C

C28H36N6O6S (584.2416916)

3-O-alpha-arabinopyranosyl-(1?6)-beta-glucopyranosyl-(1?6)-beta-glucopyranosyl-1-octen-3-ol

C25H44O15 (584.2680074)

N,N-Dimethylurabaine

C38H36N2O4 (584.2674936)

2-hydroxyswietenin

C32H40O10 (584.2621340000001)

microginin AL584

C28H45ClN4O7 (584.2976610000001)

23-hydroxytormentic acid 23-sulfate ester|2alpha,3beta,19alpha,23-tetrahydroxyurs-12-en-28-oic acid 23-sulfate ester

C30H48O9S (584.3018878)

Aralionine C

C34H40N4O5 (584.299855)

sarothralen D|Sarothralin D

C33H44O9 (584.2985174)

2-O-Methlnorsperphyllinic acid

C33H44O9 (584.2985174)

1-octen-3-yl O-beta-D-apiofuranosyl-(1->6)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranoside|lunaroside

C25H44O15 (584.2680074)

C28H40O13

C28H40O13 (584.246879)

citrafungin A

C28H40O13 (584.246879)

A carboxylic ester obtained by the formal condensation of 4-carboxy group of (2R)-2-hydroxy-2-{(3R,5R)-2-oxo-5-[(1E,5Z)-tetradeca-1,5-dien-1-yl]tetrahydrofuran-3-yl}butanedioic acid with the hydroxy group of 3-carboxy-2,3-dideoxy-L-threo-pentaric acid. It is a fungal metabolite that acts as an inhibitor of geranylgeranyltransferase type I(GGTase I) of pathogenic fungal species.

sarothralen C

C33H44O9 (584.2985174)

3,3,5,5-tetramethoxy-8,4-oxyneolignan-4,9,9-triol 4-beta-D-glucopyranoside|4-{3-hydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl}-2,6-dimethoxyphenyl beta-D-glucopyranoside

C28H40O13 (584.246879)

3,3-(2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-diyl)-bis-propionic acid|Bilirubin

C33H36N4O6 (584.2634716)

Bonafousioside

C28H40O13 (584.246879)

klysimplexin O

C30H48O11 (584.3196458)

2beta-acetoxy-4alpha-chloro-1beta,8-diangeloyloxy-3beta-hydroxy-10,11-isopropoxybisabol-7(14)-ene

C30H45ClO9 (584.275195)

Aralionin-C|aralionine-C|N,N-dimethyl-L-isoleucine (4S)-7t-((R)-hydroxy-phenyl-methyl)-5,8-dioxo-3t-phenyl-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide

C34H40N4O5 (584.299855)

His Glu Ala Thr Lys

C24H40N8O9 (584.291811)

Lys Ala Thr Glu His

C24H40N8O9 (584.291811)

Gly Phe Asn Thr Phe

C28H36N6O8 (584.2594496)

Phe Tyr Leu Glu

C30H40N4O8 (584.2846000000001)

Phe Tyr Gln Lys

C29H40N6O7 (584.295833)

Gln His Ser Ser Leu

C24H40N8O9 (584.291811)

Lys Tyr Thr Ser Ser

C25H40N6O10 (584.280578)

Ouabain

C29H44O12 (584.2832624)

D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus. C - Cardiovascular system > C01 - Cardiac therapy > C01A - Cardiac glycosides > C01AC - Strophanthus glycosides D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors relative retention time with respect to 9-anthracene Carboxylic Acid is 0.613 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.614

MLS002702983-01!

C29H44O12 (584.2832624)

C29H44O12_Card-20(22)-enolide, 3-[(6-deoxy-beta-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1beta,3beta,5beta,8xi,9xi,11alpha)

C29H44O12 (584.2832624)

C33H44O9_(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-4,9,11-Triacetoxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulen-1-yl benzoate

C33H44O9 (584.2985174)

3-[(1R,3S,5S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

C29H44O12 (584.2832624)

bilirubin

C33H36N4O6 (584.2634716)

D020011 - Protective Agents > D000975 - Antioxidants COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Origin: Plant; Formula(Parent): C33H36N4O6; Bottle Name:Bilirubin from Porcine / Bilirubin ,Mixed isomers; PRIME Parent Name:Bilirubin; PRIME in-house No.:?0043 V0105, (?0043: Bilirubin, ?V0105: Bilirubin)

Lappaconitine

C32H44N2O8 (584.3097504)

Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents > D000700 - Analgesics

MMV690027

C33H40N6O4 (584.311088)

(4E,15Z)-Bilirubin

C33H36N4O6 (584.2634716)

Bilirubin; LC-tDDA; CE10

C33H36N4O6 (584.2634716)

Bilirubin; LC-tDDA; CE20

C33H36N4O6 (584.2634716)

Bilirubin; LC-tDDA; CE30

C33H36N4O6 (584.2634716)

Bilirubin; LC-tDDA; CE40

C33H36N4O6 (584.2634716)

Bilirubin; AIF; CE0; CorrDec

C33H36N4O6 (584.2634716)

Bilirubin; AIF; CE10; CorrDec

C33H36N4O6 (584.2634716)

Bilirubin; AIF; CE30; CorrDec

C33H36N4O6 (584.2634716)

Bilirubin; AIF; CE0; MS2Dec

C33H36N4O6 (584.2634716)

Bilirubin; AIF; CE10; MS2Dec

C33H36N4O6 (584.2634716)

Bilirubin; AIF; CE30; MS2Dec

C33H36N4O6 (584.2634716)

OUABAIN_major

C29H44O12 (584.2832624)

(2S,3S,4S,5R,6R)-6-(((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-4-carboxybutan-2-yl)-7,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

C30H48O11 (584.3196458)

Asp His Lys Trp

C27H36N8O7 (584.2706826)

Asp His Gln Trp

C26H32N8O8 (584.2342992)

Asp His Trp Lys

C27H36N8O7 (584.2706826)

Asp Lys His Trp

C27H36N8O7 (584.2706826)

Asp Lys Trp His

C27H36N8O7 (584.2706826)

Asp Trp His Lys

C27H36N8O7 (584.2706826)

Asp Trp Lys His

C27H36N8O7 (584.2706826)

Phe Lys Gln Tyr

C29H40N6O7 (584.295833)

Phe Lys Tyr Gln

C29H40N6O7 (584.295833)

Phe Gln Lys Tyr

C29H40N6O7 (584.295833)

Phe Gln Gln Tyr

C28H36N6O8 (584.2594496)

Phe Gln Tyr Lys

C29H40N6O7 (584.295833)

Phe Gln Tyr Gln

C28H36N6O8 (584.2594496)

Phe Tyr Lys Gln

C29H40N6O7 (584.295833)

Phe Tyr Gln Gln

C28H36N6O8 (584.2594496)

Gly His Trp Trp

C30H32N8O5 (584.2495541999999)

Gly Trp His Trp

C30H32N8O5 (584.2495541999999)

Gly Trp Trp His

C30H32N8O5 (584.2495541999999)

His Asp Lys Trp

C27H36N8O7 (584.2706826)

His Asp Trp Lys

C27H36N8O7 (584.2706826)

His Gly Trp Trp

C30H32N8O5 (584.2495541999999)

His Lys Asp Trp

C27H36N8O7 (584.2706826)

His Lys Trp Asp

C27H36N8O7 (584.2706826)

His Arg Ser Trp

C26H36N10O6 (584.2819156)

His Arg Trp Ser

C26H36N10O6 (584.2819156)

His Ser Arg Trp

C26H36N10O6 (584.2819156)

His Ser Trp Arg

C26H36N10O6 (584.2819156)

His Trp Asp Lys

C27H36N8O7 (584.2706826)

His Trp Gly Trp

C30H32N8O5 (584.2495541999999)

His Trp Lys Asp

C27H36N8O7 (584.2706826)

His Trp Arg Ser

C26H36N10O6 (584.2819156)

His Trp Ser Arg

C26H36N10O6 (584.2819156)

His Trp Trp Gly

C30H32N8O5 (584.2495541999999)

Lys Asp His Trp

C27H36N8O7 (584.2706826)

Lys Asp Trp His

C27H36N8O7 (584.2706826)

Lys Phe Gln Tyr

C29H40N6O7 (584.295833)

Lys Phe Tyr Gln

C29H40N6O7 (584.295833)

Lys His Asp Trp

C27H36N8O7 (584.2706826)

Lys His Trp Asp

C27H36N8O7 (584.2706826)

Lys Gln Phe Tyr

C29H40N6O7 (584.295833)

Lys Gln Tyr Phe

C29H40N6O7 (584.295833)

Lys Trp Asp His

C27H36N8O7 (584.2706826)

Lys Trp His Asp

C27H36N8O7 (584.2706826)

Lys Tyr Phe Gln

C29H40N6O7 (584.295833)

Lys Tyr Gln Phe

C29H40N6O7 (584.295833)

Pro Pro Trp Trp

C32H36N6O5 (584.2747046)

Pro Trp Pro Trp

C32H36N6O5 (584.2747046)

Pro Trp Trp Pro

C32H36N6O5 (584.2747046)

Gln Phe Lys Tyr

C29H40N6O7 (584.295833)

Gln Phe Gln Tyr

C28H36N6O8 (584.2594496)

Gln Phe Tyr Lys

C29H40N6O7 (584.295833)

Gln Phe Tyr Gln

C28H36N6O8 (584.2594496)

Gln Lys Phe Tyr

C29H40N6O7 (584.295833)

Gln Lys Tyr Phe

C29H40N6O7 (584.295833)

Gln Gln Phe Tyr

C28H36N6O8 (584.2594496)

Gln Gln Tyr Phe

C28H36N6O8 (584.2594496)

Gln Tyr Phe Lys

C29H40N6O7 (584.295833)

Gln Tyr Phe Gln

C28H36N6O8 (584.2594496)

Gln Tyr Lys Phe

C29H40N6O7 (584.295833)

Gln Tyr Gln Phe

C28H36N6O8 (584.2594496)

Arg His Ser Trp

C26H36N10O6 (584.2819156)

Arg His Trp Ser

C26H36N10O6 (584.2819156)

Arg Ser His Trp

C26H36N10O6 (584.2819156)

Arg Ser Trp His

C26H36N10O6 (584.2819156)

Arg Trp His Ser

C26H36N10O6 (584.2819156)

Arg Trp Ser His

C26H36N10O6 (584.2819156)

Ser His Arg Trp

C26H36N10O6 (584.2819156)

Ser His Trp Arg

C26H36N10O6 (584.2819156)

Ser Arg His Trp

C26H36N10O6 (584.2819156)

Ser Arg Trp His

C26H36N10O6 (584.2819156)

Ser Trp His Arg

C26H36N10O6 (584.2819156)

Ser Trp Arg His

C26H36N10O6 (584.2819156)

Trp Asp His Lys

C27H36N8O7 (584.2706826)

Trp Asp Lys His

C27H36N8O7 (584.2706826)

Trp Gly His Trp

C30H32N8O5 (584.2495541999999)

Trp Gly Trp His

C30H32N8O5 (584.2495541999999)

Trp His Asp Lys

C27H36N8O7 (584.2706826)

Trp His Gly Trp

C30H32N8O5 (584.2495541999999)

Trp His Lys Asp

C27H36N8O7 (584.2706826)

Trp His Arg Ser

C26H36N10O6 (584.2819156)

Trp His Ser Arg

C26H36N10O6 (584.2819156)

Trp His Trp Gly

C30H32N8O5 (584.2495541999999)

Trp Lys Asp His

C27H36N8O7 (584.2706826)

Trp Lys His Asp

C27H36N8O7 (584.2706826)

Trp Pro Pro Trp

C32H36N6O5 (584.2747046)

Trp Pro Trp Pro

C32H36N6O5 (584.2747046)

Trp Arg His Ser

C26H36N10O6 (584.2819156)

Trp Arg Ser His

C26H36N10O6 (584.2819156)

Trp Ser His Arg

C26H36N10O6 (584.2819156)

Trp Ser Arg His

C26H36N10O6 (584.2819156)

Trp Trp Gly His

C30H32N8O5 (584.2495541999999)

Trp Trp His Gly

C30H32N8O5 (584.2495541999999)

Trp Trp Pro Pro

C32H36N6O5 (584.2747046)

Tyr Phe Lys Gln

C29H40N6O7 (584.295833)

Tyr Phe Gln Lys

C29H40N6O7 (584.295833)

Tyr Phe Gln Gln

C28H36N6O8 (584.2594496)

Tyr Lys Phe Gln

C29H40N6O7 (584.295833)

Tyr Lys Gln Phe

C29H40N6O7 (584.295833)

Tyr Gln Phe Lys

C29H40N6O7 (584.295833)

Tyr Gln Phe Gln

C28H36N6O8 (584.2594496)

Tyr Gln Lys Phe

C29H40N6O7 (584.295833)

Tyr Gln Gln Phe

C28H36N6O8 (584.2594496)

GFNTF

C28H36N6O8 (584.2594496)

KATEH

C24H40N8O9 (584.291811)

HEATK

C24H40N8O9 (584.291811)

KYTSS

C25H40N6O10 (584.280578)

PI(17:1/0:0)

C26H49O12P (584.2961484)

Pubescenol

C32H40O10 (584.2621340000001)

4Z,15E-Bilirubin IXa

C33H36N4O6 (584.2634716)

4E,15Z-Bilirubin IXa

C33H36N4O6 (584.2634716)

A linear tetrapyrrole, product of heme degradation. An isomer of bilirubin. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

Cholic acid glucuronide

C30H48O11 (584.3196458)

D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids

PI(17:1(9Z)/0:0)

C26H49O12P (584.2961484)

LPI 17:1

C26H49O12P (584.2961484)

PS-PG

C26H49O12P (584.2961484)

Oubain

C29H44O12 (584.2832624)

Linetastine

C35H40N2O6 (584.288622)

C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

Sampatrilat

C26H40N4O9S (584.2515870000001)

Amikacin B

C22H44N6O12 (584.3017064000001)

aluminum nickel isopropoxide

C24H56Al2NiO8 (584.2959266)

For-Met-Leu-Phe-Phe-OH

C30H40N4O6S (584.266842)

L-755,507

C30H40N4O6S (584.266842)

L755507 is a potent, selective agonist of β3-AR with an IC50 of 35 nM. L755507 enhances the homology-directed repair (HDR)-mediated genome editing in CRISPR/Cas9 nickase system[1][2][3].

3,17-Divinyl-1,10,19,22,23,24-hexahydro-2,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid

C33H36N4O6 (584.2634716)

SPERMIDINE PHOSPHATE

C14H47N6O12P3 (584.2464692000001)

1-S-Ethyl 2,3,4,6-tetra-O-benzyl-b-D-thiogalactopyranoside

C36H40O5S (584.259631)

(-)-OUABAIN HYDRATE

C29H44O12 (584.2832624)

Ajugamarin chlorohydrin

C29H41ClO10 (584.2388116000001)

Lumirubin

C33H36N4O6 (584.2634716)

methyl (2S)-6-amino-2-[[(2R)-2-[[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]hexanoyl]amino]hexanoate

C29H40N6O7 (584.295833)

1-O-(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronic acid

C30H48O11 (584.3196458)

Dnmt3A-IN-2

C33H40N6O4 (584.311088)

1,5-Bis(n-benzyloxycarbonyl-l-leucinyl)carbohydrazide

C29H40N6O7 (584.295833)

3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(E)-(4-methyl-5-oxo-3-vinyl-2-pyrrolylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(E)-(3-methyl-5-oxo-4-vinyl-2-pyrrolylidene)methyl]-1H-pyrrol-3-yl]propanoic acid

C33H36N4O6 (584.2634716)

[(1S,2S,5R,6E,13S,13aS)-3a,13-diacetyloxy-13a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-1-phenoxy-2,3,5,10,11,13-hexahydro-1H-cyclopenta[12]annulen-10-yl] acetate

C32H40O10 (584.2621340000001)

Streptomycin(3+)

C21H42N7O12+3 (584.2891312)

Bilirubin XIIIalpha

C33H36N4O6 (584.2634716)

(2R,3E)-phycocyanobilin

C33H36N4O6-2 (584.2634716)

(2R,3Z)-8,12-bis(2-carboxylatoethyl)-18-ethyl-3-ethylidene-2,7,13,17-tetramethyl-2,3-dihydrobilin-1,19(21H,24H)-dione

C33H36N4O6-2 (584.2634716)

(2R,3E)-phycoerythrobilin

C33H36N4O6-2 (584.2634716)

15,16-Dihydrobiliverdin ixa

C33H36N4O6 (584.2634716)

hexadecanoyl-AMP(1-)

C26H43N5O8P- (584.2849108)

3-[(2Z,5Z)-2-[[3-(2-carboxylatoethyl)-5-[[(2R)-4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(3Z,4R)-3-ethylidene-4-methyl-5-oxopyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate

C33H36N4O6-2 (584.2634716)

Bilirubin IIIalpha

C33H36N4O6 (584.2634716)

3-(2-[(Z)-{3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-2-ylidene}methyl]-5-{(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid

C33H36N4O6 (584.2634716)

181,182-Dihydrobiliverdin

C33H36N4O6 (584.2634716)

(15Z)-phycoviolobilin

C33H36N4O6-2 (584.2634716)

1-carboxy-chondrochloren B

C29H43ClNO9- (584.2626198)

de(cyclohexane-1-carbonyl)-thiazinotrienomycin E

C31H42N3O6S+ (584.2794172000001)

(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-7-ium-9-carboxamide

C33H38N5O5+ (584.2872798)

a Phycobiliverdin

C33H36N4O6-2 (584.2634716)

a Phycoerythrobilin

C33H36N4O6-2 (584.2634716)

3-[(2E)-2-[[3-(2-carboxyethyl)-5-[[4-ethenyl-5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoic acid

C33H36N4O6 (584.2634716)

3-[(2E)-2-[[3-(2-carboxyethyl)-5-[[3-ethenyl-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoic acid

C33H36N4O6 (584.2634716)

3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

C33H36N4O6 (584.2634716)

3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

C33H36N4O6 (584.2634716)

ruageanin B

C32H40O10 (584.2621340000001)

A natural product found in Trichilia connaroides.

Ananolignan M

C32H40O10 (584.2621340000001)

A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.

Ananolignan N

C32H40O10 (584.2621340000001)

A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.

Ajugamarin A1 Chlorohydrin

C29H41ClO10 (584.2388116000001)

A diterpene lactone isolated from the whole plants of Ajuga ciliata.

Acolongifloroside K

C29H44O12 (584.2832624)

D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors

Acolongifloroside potassium

C29H44O12 (584.2832624)

D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors

Chisomicine C

C32H40O10 (584.2621340000001)

A natural product found in Chisocheton ceramicus.

3-acetyl-7-tigloylvilasinin lactone

C33H44O9 (584.2985174)

A limonoid found in Azadirachta indica.

1-Hexyl-3-[4-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]sulfamoyl]phenyl]urea

C30H40N4O6S (584.266842)

kirkinine D

C32H40O10 (584.2621340000001)

A natural product found in Pimelea elongata.

(3Z)-8,12-bis(2-carboxylatoethyl)-18-ethenyl-3-ethylidene-2,7,13,17-tetramethyl-2,3,15,16-tetrahydrobiline-1,19(21H,24H)-dione

C33H36N4O6-2 (584.2634716)

1-O-(3alpha,6alpha,7alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronic acid

C30H48O11 (584.3196458)

(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C33H36N4O4S (584.2457136)

(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C33H36N4O4S (584.2457136)

1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea

C31H35F3N4O4 (584.2610266)

1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C33H36N4O4S (584.2457136)

(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C33H36N4O4S (584.2457136)

N-[(2S,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide

C32H36N6O5 (584.2747046)

1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea

C31H35F3N4O4 (584.2610266)

1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea

C31H35F3N4O4 (584.2610266)

1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea

C31H35F3N4O4 (584.2610266)

1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea

C31H35F3N4O4 (584.2610266)

1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide

C32H36N6O5 (584.2747046)

1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea

C31H35F3N4O4 (584.2610266)

1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea

C31H35F3N4O4 (584.2610266)

1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea

C31H35F3N4O4 (584.2610266)

N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

C31H35F3N4O4 (584.2610266)

N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

C31H35F3N4O4 (584.2610266)

N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

C31H35F3N4O4 (584.2610266)

N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

C31H35F3N4O4 (584.2610266)

1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea

C34H40N4O5 (584.299855)

1-(10Z)-heptadecenoyl-sn-glycero-3-phospho-1D-myo-inositol

C26H49O12P (584.2961484)

Mesobiliverdin(2-)

C33H36N4O6-2 (584.2634716)

6alpha-(beta-D-glucopyranuronosyloxy)-3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid

C30H48O11 (584.3196458)

(Z)-2-cyano-N-[4-[[4-[[(Z)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide

C33H36N4O6 (584.2634716)

(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-17-(5-hydroxyfuran-3-yl)-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,5,11,14-tetrol

C29H44O12 (584.2832624)

Acolonifloroside K

C29H44O12 (584.2832624)

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (Z)-heptadec-9-enoate

C26H49O12P (584.2961484)

Dgdg O-9:0_2:0

C26H48O14 (584.3043908)

Dgdg O-8:0_3:0

C26H48O14 (584.3043908)

Smgdg O-15:1_2:0

C26H48O12S (584.2866328)

Smgdg O-14:1_3:0

C26H48O12S (584.2866328)

Smgdg O-13:1_4:0

C26H48O12S (584.2866328)

[1-acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (Z)-tetradec-9-enoate

C25H45O13P (584.259765)

[1-Acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octanoate

C25H44O15 (584.2680074)

[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] heptanoate

C25H44O15 (584.2680074)

[1-Butanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] hexanoate

C25H44O15 (584.2680074)

[2-Pentanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] pentanoate

C25H44O15 (584.2680074)

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] (Z)-tridec-9-enoate

C25H45O13P (584.259765)

3-[(1S,3R,5S,8R,9S,10R,11R,13R,14S,17S)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

C29H44O12 (584.2832624)

(3Z)-phytochromobilin

C33H36N4O6 (584.2634716)

CID 56928145

C33H44O9 (584.2985174)

3-[2-[[3-(2-carboxyethyl)-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

C33H36N4O6 (584.2634716)

Streptomycin(3+)

C21H42N7O12 (584.2891312)

Trication of streptomycin arising from protonation of the guanidino and secondary amino groups.

1-hexadecanoyl-2-succinyl-sn-glycero-3-phospho-(1-sn-glycerol)

C26H49O12P (584.2961484)

hyocholic acid 24-O-(beta-D-glucuronide)

C30H48O11 (584.3196458)

A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of hyocholic acid with the anomeric hydroxy group of beta-D-glucuronic acid.

cholic acid 24-O-(beta-D-glucuronide)

C30H48O11 (584.3196458)

A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of cholic acid with the anomeric hydroxy group of beta-D-glucuronic acid.

1-(9Z-heptadecenoyl)-glycero-3-phospho-(1-myo-inositol)

C26H49O12P (584.2961484)

hyocholic acid 6-O-(beta-D-glucuronide)

C30H48O11 (584.3196458)

A steroid glucosiduronic acid that is hyocholic acid having a single beta-D-glucuronic acid residue attached at position 6.

Bilirubin ixalpha

C33H36N4O6 (584.2634716)

A member of the class of biladienes that is a linear tetrapyrrole with the dipyrrole units being of both exovinyl and endovinyl type. A product of heme degradation, it is produced in the reticuloendothelial system by the reduction of biliverdin and transported to the liver as a complex with serum albumin.

DGMG 11:0

C26H48O14 (584.3043908)

DGGA 20:4;O

C29H44O12 (584.2832624)

DGGA 21:3

C30H48O11 (584.3196458)

PA O-27:6;O2

C30H49O9P (584.3114034)

PA P-18:1/9:4;O2

C30H49O9P (584.3114034)

PA 18:3/8:3;O2

C29H45O10P (584.2750199999999)

PA 18:4/7:3;O3

C28H41O11P (584.2386366)

PA 18:4/8:2;O2

C29H45O10P (584.2750199999999)

PA 18:4/9:1;O

C30H49O9P (584.3114034)

PA 20:2/7:3;O

C30H49O9P (584.3114034)

PA 22:4/5:1;O

C30H49O9P (584.3114034)

PA 22:5/4:1;O2

C29H45O10P (584.2750199999999)

PA 25:7;O3

C28H41O11P (584.2386366)

PA 26:6;O2

C29H45O10P (584.2750199999999)

PA 27:5;O

C30H49O9P (584.3114034)

LPG 24:6

C30H49O9P (584.3114034)

PG 16:0/4:1;O2

C26H49O12P (584.2961484)

PI 12:0/4:1

C25H45O13P (584.259765)

PI 14:1/2:0

C25H45O13P (584.259765)

PI 16:1

C25H45O13P (584.259765)

PEth 25:5;O

C30H49O9P (584.3114034)

PM 26:5;O

C30H49O9P (584.3114034)

Dihydro-biliverdin

C33H36N4O6 (584.2634716)

ST 22:3;O7;GlcA

C28H40O13 (584.246879)

ST 23:2;O6;GlcA

C29H44O12 (584.2832624)

ST 26:7;O4;GlcA

C32H40O10 (584.2621340000001)

ST 27:6;O3;GlcA

C33H44O9 (584.2985174)

ST 22:4;O8;Hex

C28H40O13 (584.246879)

ST 23:3;O7;Hex

C29H44O12 (584.2832624)

ST 24:2;O6;Hex

C30H48O11 (584.3196458)

ST 27:7;O4;Hex

C33H44O9 (584.2985174)

ST 29:4;O7;S

C29H44O10S (584.2655044)

(1s,2r,4r,6r,7r,11r,12r,14r,15r,16r,18s)-7-(furan-3-yl)-18-(2-methoxy-2-oxoethyl)-1,6,17,17-tetramethyl-9,19-dioxo-3,8,13-trioxahexacyclo[13.3.1.0²,⁴.0²,¹².0⁶,¹¹.0¹²,¹⁴]nonadecan-16-yl (2r)-2-methylbutanoate

C32H40O10 (584.2621340000001)

[6-(acetyloxy)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-4-{[(3-methylbutanoyl)oxy]methyl}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate

C29H44O12 (584.2832624)

4-[(1r,3as,3br,5as,7s,9r,9ar,9bs,10r,11ar)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-{[(2r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

C29H44O12 (584.2832624)

(1r,2s,5r,6r,9r,10s,13r,14s,16s)-6-(furan-3-yl)-9,13-dihydroxy-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl (2e)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(2r,3r,4s,5s,6r)-2-[(2s,3s)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C28H40O13 (584.246879)

(1s,2r,5r,6r,11r,12r,13s,14r,16s)-6-(furan-3-yl)-11,12-dihydroxy-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-9-en-14-yl (2e)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(1r,2s,5r,6r,10s,13s,14r,16s)-6-[(2s)-2-hydroxy-5-oxo-2h-furan-3-yl]-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl (2e)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(3r)-oct-1-en-3-yloxy]oxan-3-yl]oxy}-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C25H44O15 (584.2680074)

3,5-dihydroxy-4,4-dimethyl-2-(2-methylpropanoyl)-6-{[(2s,3r)-3,5,7-trihydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-8-(2-methylpropanoyl)-3,4-dihydro-1-benzopyran-6-yl]methyl}cyclohexa-2,5-dien-1-one

C33H44O9 (584.2985174)

(1s,2s,3ar,4s,5s,9r,11r,13as)-4,9,11-tris(acetyloxy)-3a-hydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

C33H44O9 (584.2985174)

(8r,9s,10r,11r)-11-(butanoyloxy)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl 2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

2-(acetyloxy)-8-chloro-3,17-dihydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-12-(propanoyloxy)-6-oxatricyclo[11.4.0.0³,⁷]heptadec-10-en-16-yl 2-methylpropanoate

C29H41ClO10 (584.2388116000001)

(2s)-n-[(3s,4s,7r,10z)-5,8-dihydroxy-7-[(r)-hydroxy(phenyl)methyl]-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

C34H40N4O5 (584.299855)

(1r,2r,3ar,4r,5r,9r,11r,13as)-4,9,11-tris(acetyloxy)-3a-hydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

C33H44O9 (584.2985174)

(1s,2r,3r,4r,7s,8z,11s,12r,13r,14s,16s,17r)-11,12,14-tris(acetyloxy)-3,4,16-trihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-2-yl acetate

C28H40O13 (584.246879)

8-{15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaen-8-yl}-15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene

C38H36N2O4 (584.2674936)

6-(2-hydroxy-5-oxo-2h-furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl 2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

1-deacetylnimbolinin b

C33H44O9 (584.2985174)

{"Ingredient_id": "HBIN002468","Ingredient_name": "1-deacetylnimbolinin b","Alias": "NA","Ingredient_formula": "C33H44O9","Ingredient_Smile": "CC=C(C)C(=O)OC1C2C3C(CO2)(C(CC(C3(C4C1(C5=C(C(CC5OC(C4)O)C6=COC=C6)C)C)C)O)OC(=O)C)C","Ingredient_weight": "584.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4755","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91895443","DrugBank_id": "NA"}

2-hydroxy-3-o-tigloylswietenolide

C32H40O10 (584.2621340000001)

{"Ingredient_id": "HBIN005751","Ingredient_name": "2-hydroxy-3-o-tigloylswietenolide","Alias": "NA","Ingredient_formula": "C32H40O10","Ingredient_Smile": "CC=C(C)C(=O)OC1C(C(C2(C3CCC4(C(OC(=O)CC4=C3CC1(C2=O)O)C5=COC=C5)C)C)C(C(=O)OC)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10767","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(+)-5,5'-dimethoxy-9-o-β-d-glucopyranosylsecoisolariciresinol

C28H40O13 (584.246879)

{"Ingredient_id": "HBIN011074","Ingredient_name": "(+)-5,5'-dimethoxy-9-o-\u03b2-d-glucopyranosylsecoisolariciresinol","Alias": "NA","Ingredient_formula": "C28H40O13","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)CC(CO)C(CC2=CC(=C(C(=C2)OC)O)OC)COC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6230","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

asystoside

C25H44O15 (584.2680074)

{"Ingredient_id": "HBIN017262","Ingredient_name": "asystoside","Alias": "NA","Ingredient_formula": "C25H44O15","Ingredient_Smile": "CCCCCC(C=C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "584.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1952","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102376770","DrugBank_id": "NA"}

11,12,14-tris(acetyloxy)-3,4,16-trihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-2-yl acetate

C28H40O13 (584.246879)

(1r,2s,5r,6r,10s,13s,14r,16s)-6-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl (2e)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

17-(acetyloxy)-8-(furan-3-yl)-4,19-dihydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl 2-methylbut-2-enoate

C33H44O9 (584.2985174)

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-2-[(3r)-oct-1-en-3-yloxy]-6-({[(2r,3s,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C25H44O15 (584.2680074)

(1r,2s,5r,6r,13r,14s,16s)-6-(furan-3-yl)-13-hydroxy-16-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-14-yl (2e)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(1r,9s,16r,18s,19r,20s,21s,29s,36s,38s,39r,40s)-10,30-dioxa-8,15,28,35-tetraazatridecacyclo[33.5.2.2¹⁵,²¹.0¹,³⁶.0²,⁷.0⁸,⁴⁰.0⁹,¹⁹.0¹³,¹⁸.0¹⁶,²¹.0²⁰,²⁸.0²²,²⁷.0²⁹,³⁹.0³³,³⁸]tetratetraconta-2,4,6,12,22,24,26,32-octaene

C38H40N4O2 (584.31511)

(1s,2r,3r,4r,7r,8s,10z,12r,13s,16s,17s)-2-(acetyloxy)-8-chloro-3,17-dihydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-12-(propanoyloxy)-6-oxatricyclo[11.4.0.0³,⁷]heptadec-10-en-16-yl 2-methylpropanoate

C29H41ClO10 (584.2388116000001)

n-{2-[({11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl}oxy)carbonyl]phenyl}ethanimidic acid

C32H44N2O8 (584.3097504)

3-[3-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-2-[(2-methylbut-2-enoyl)oxy]cyclohexyl]-1-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)but-3-en-2-yl 2-methylbut-2-enoate

C30H45ClO9 (584.275195)

methyl 6-[11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate

C33H44O9 (584.2985174)

3-[3,6,9,12,15-pentahydroxy-14-(1h-indol-3-ylmethyl)-8,11-diisopropyl-5-methyl-1,4,7,10,13-pentaazacyclopentadeca-1(15),3,6,9,12-pentaen-2-yl]propanoic acid

C29H40N6O7 (584.295833)

(1r,2r,6s,8s,11r,12s,13r,16r,17r,19s,20r)-17-(acetyloxy)-19-hydroxy-1,9,11,16-tetramethyl-8-[(3r)-2-oxo-3h-furan-3-yl]-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl (2e)-2-methylbut-2-enoate

C33H44O9 (584.2985174)

1,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-[(sulfooxy)methyl]-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C30H48O9S (584.3018878)

5-(acetyloxy)-3-(furan-3-yl)-6-[3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-7-oxo-3h-oxepin-4-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl propanoate

C32H40O10 (584.2621340000001)

3,5-dihydroxy-4,4-dimethyl-2-(2-methylpropanoyl)-6-{[3,5,7-trihydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-6-(2-methylpropanoyl)-3,4-dihydro-1-benzopyran-8-yl]methyl}cyclohexa-2,5-dien-1-one

C33H44O9 (584.2985174)

17-(acetyloxy)-19-hydroxy-1,9,11,16-tetramethyl-8-(2-oxo-5h-furan-3-yl)-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl 2-methylbut-2-enoate

C33H44O9 (584.2985174)

4,9,11-tris(acetyloxy)-3a-hydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

C33H44O9 (584.2985174)

(1ar,3s,3ar,4r,5r,6r,7as)-5-(acetyloxy)-3-(furan-3-yl)-6-[(3r,4s)-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-7-oxo-3h-oxepin-4-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl propanoate

C32H40O10 (584.2621340000001)

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

C28H45ClN4O7 (584.2976610000001)

methyl (2r,6s)-6-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate

C33H44O9 (584.2985174)

(1s,2s,3s,4r,7s,8z,11s,12r,13r,14s,16s,17r)-11,12,14-tris(acetyloxy)-3,4,16-trihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-2-yl acetate

C28H40O13 (584.246879)

(2s)-n-[(3r,4r,7r,10e)-5,8-dihydroxy-7-[(s)-hydroxy(phenyl)methyl]-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

C34H40N4O5 (584.299855)

3,5-dihydroxy-4,4-dimethyl-2-(2-methylpropanoyl)-6-{[3,5,7-trihydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-8-(2-methylpropanoyl)-3,4-dihydro-1-benzopyran-6-yl]methyl}cyclohexa-2,5-dien-1-one

C33H44O9 (584.2985174)

3-[(2r,3r)-2-(furan-3-yl)-4-[(4r,6r,7r)-6-(2-methoxy-2-oxoethyl)-5,5,7-trimethyl-4-{[(2s)-2-methylbutanoyl]oxy}-6,7-dihydro-4h-1-benzofuran-2-yl]-3-methyl-6-oxo-2h-pyran-3-yl]propanoic acid

C32H40O10 (584.2621340000001)

[1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl][4-(2-methoxy-2-oxoethyl)-3,3,5-trimethyl-6-oxocyclohex-1-en-1-yl]methyl 2-methylbutanoate

C32H40O10 (584.2621340000001)

(8r,9s,10r,11r)-11-(butanoyloxy)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(1s,2r,3r,4r,7r,8s,10e,12s,13s,16s,17s)-2-(acetyloxy)-8-chloro-3,17-dihydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-12-(propanoyloxy)-6-oxatricyclo[11.4.0.0³,⁷]heptadec-10-en-16-yl butanoate

C29H41ClO10 (584.2388116000001)

(2s)-n-[(3r,4r,7r,10z)-5,8-dihydroxy-7-[(s)-hydroxy(phenyl)methyl]-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

C34H40N4O5 (584.299855)

3-[2-(furan-3-yl)-4-[6-(2-methoxy-2-oxoethyl)-5,5,7-trimethyl-4-[(2-methylbutanoyl)oxy]-6,7-dihydro-4h-1-benzofuran-2-yl]-3-methyl-6-oxo-2h-pyran-3-yl]propanoic acid

C32H40O10 (584.2621340000001)

(1r,2r,6s,8s,11r,12s,13r,16r,17r,19s,20r)-17-(acetyloxy)-19-hydroxy-1,9,11,16-tetramethyl-8-(2-oxo-5h-furan-3-yl)-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl (2e)-2-methylbut-2-enoate

C33H44O9 (584.2985174)

6-(furan-3-yl)-13-hydroxy-16-(1-hydroxy-2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl 2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(1r,2s,11r,12s,13r,16r,17r,19s)-17-(acetyloxy)-8-(furan-3-yl)-4,12-dihydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl (2e)-2-methylbut-2-enoate

C33H44O9 (584.2985174)

(2s)-3-[(1r,2s,3s,4s,5s)-3-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-2-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl]-1-[(4r)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]but-3-en-2-yl (2z)-2-methylbut-2-enoate

C30H45ClO9 (584.275195)

3-(4-methoxyphenyl)-1-[(9s)-1,6,7-trihydroxy-9-[(2s,3r)-4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl]propan-1-one

C35H36O8 (584.2410056)

(1s,2r,5s,6s,9s,13s,14r,16r)-6-(furan-3-yl)-9,13-dihydroxy-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-14-yl (2e)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

3-[(2r,5s,8s,11r,14s)-3,6,9,12,15-pentahydroxy-14-(1h-indol-3-ylmethyl)-8,11-diisopropyl-5-methyl-1,4,7,10,13-pentaazacyclopentadeca-1(15),3,6,9,12-pentaen-2-yl]propanoic acid

C29H40N6O7 (584.295833)

n-[2-({[(1s,2s,3s,4s,5r,6s,8s,9s,13s,16s,17s)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]oxy}carbonyl)phenyl]ethanimidic acid

C32H44N2O8 (584.3097504)

10,30-dioxa-8,15,28,35-tetraazatridecacyclo[33.5.2.2¹⁵,²¹.0¹,³⁶.0²,⁷.0⁸,⁴⁰.0⁹,¹⁹.0¹³,¹⁸.0¹⁶,²¹.0²⁰,²⁸.0²²,²⁷.0²⁹,³⁹.0³³,³⁸]tetratetraconta-2,4,6,12,22,24,26,32-octaene

C38H40N4O2 (584.31511)

2-{4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H40O13 (584.246879)

n-[2-({[(1s,2s,3s,4s,5s,6s,8s,9s,10s,13r,16s,17s)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]oxy}carbonyl)phenyl]ethanimidic acid

C32H44N2O8 (584.3097504)

2-(4-{3-hydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl}-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C28H40O13 (584.246879)

9-(furan-3-yl)-15-(1-hydroxy-2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl 2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

6-(5-hydroxy-2-oxo-5h-furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl 2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(2s)-n-[(3r,4r,7r,10z)-5,8-dihydroxy-7-[(r)-hydroxy(phenyl)methyl]-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

C34H40N4O5 (584.299855)

(2r,3r,4s,5s,6r)-2-[(2r,3s)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C28H40O13 (584.246879)

(1ar,3s,3ar,4r,5r,6r,7as)-5-(acetyloxy)-3-(furan-3-yl)-6-[(3r,4r)-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-7-oxo-3h-oxepin-4-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl propanoate

C32H40O10 (584.2621340000001)

7-(furan-3-yl)-18-(2-methoxy-2-oxoethyl)-1,6,17,17-tetramethyl-9,19-dioxo-3,8,13-trioxahexacyclo[13.3.1.0²,⁴.0²,¹².0⁶,¹¹.0¹²,¹⁴]nonadecan-16-yl 2-methylbutanoate

C32H40O10 (584.2621340000001)

(1r,2s,5r,6r,9r,13r,14s,16s)-6-(furan-3-yl)-9,13-dihydroxy-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-14-yl (2e)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(1s,2s,3ar,4r,4as,4br,6r,8ar,9ar,10r,10ar)-4,6-bis(acetyloxy)-1-(benzyloxy)-3a-hydroxy-2,4a,6,9a-tetramethyl-8-oxo-decahydro-1h-cyclopenta[b]fluoren-10-yl acetate

C33H44O9 (584.2985174)

6-(furan-3-yl)-11,12-dihydroxy-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-9-en-14-yl 2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(8r,9s,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-11-[(2-methylpropanoyl)oxy]-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(2s,3r,4s,5s,6r)-2-{[(1s,6r)-4-[(1s,3ar,4s,6ar)-4-[(3r,4s)-4-hydroxy-3,5-dimethoxycyclohexa-1,5-dien-1-yl]-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxycyclohexa-2,4-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H40O13 (584.246879)

(2r,3r,4r,5r,6r)-2-butoxy-5-(3,4-dihydroxy-5-methoxyphenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-(hydroxymethyl)-4-(methoxymethyl)oxane-3,4,5-triol

C28H40O13 (584.246879)

(1r,2r,6s,7s,8r,10s,11s,12r,14s,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-[(1e,3e,5e)-nona-1,3,5-trien-1-yl]-5-oxo-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl acetate

C32H40O10 (584.2621340000001)

(r)-[(1r,5r,8ar)-1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl][(4r,5r)-4-(2-methoxy-2-oxoethyl)-3,3,5-trimethyl-6-oxocyclohex-1-en-1-yl]methyl (2r)-2-methylbutanoate

C32H40O10 (584.2621340000001)

2-{[4,5-dihydroxy-2-(oct-1-en-3-yloxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C25H44O15 (584.2680074)

(1s,2s,5s,6s,11s,13r,14s,15r,18s,19r)-6-(furan-3-yl)-11,18-dihydroxy-19-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-8-oxo-7,17-dioxapentacyclo[13.3.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁸]nonadec-9-en-14-yl (2e)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-2-[(3r)-oct-1-en-3-yloxy]-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C25H44O15 (584.2680074)

3,5-dihydroxy-4,4-dimethyl-2-(2-methylpropanoyl)-6-{[(2s,3r)-3,5,7-trihydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-6-(2-methylpropanoyl)-3,4-dihydro-1-benzopyran-8-yl]methyl}cyclohexa-2,5-dien-1-one

C33H44O9 (584.2985174)

(1s,2r,3ar,4s,5s,9r,11r,13as)-4,9,11-tris(acetyloxy)-3a-hydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate

C33H44O9 (584.2985174)

6-(furan-3-yl)-11,18-dihydroxy-19-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-8-oxo-7,17-dioxapentacyclo[13.3.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁸]nonadec-9-en-14-yl 2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-(nona-1,3,5-trien-1-yl)-5-oxo-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl acetate

C32H40O10 (584.2621340000001)

(1s,2s,5r,6r,10s,13r,14r,16s)-6-(5-hydroxy-2-oxo-5h-furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl (2e)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

n-[2-({[(1s,2r,3r,4s,5r,6s,8r,9r,10s,13s,16s,17s)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]oxy}carbonyl)phenyl]ethanimidic acid

C32H44N2O8 (584.3097504)

(2s,3s)-n-[(3r,4r,7r,10z)-5,8-dihydroxy-7-[(r)-hydroxy(phenyl)methyl]-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-methylpentanimidic acid

C34H40N4O5 (584.299855)

6-(furan-3-yl)-13-hydroxy-16-(1-hydroxy-2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-14-yl 2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

2-{[(2s)-2-[(2s)-2-{[(2s,3s)-3-amino-10-chloro-1,2-dihydroxydecylidene]amino}-n-methylpropanamido]-1-hydroxy-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propanoic acid

C28H45ClN4O7 (584.2976610000001)

17-benzyl-14-(1-hydroxyethyl)-20-methyl-4-(sec-butyl)-19-oxa-6-thia-3,10,13,16,21,22-hexaazatricyclo[16.2.1.1⁵,⁸]docosa-2,5(22),7,9,12,15,18(21)-heptaene-2,9,12,15-tetrol

C28H36N6O6S (584.2416916)

(2s,3r,4s,5s,6r)-2-{4-[(2s)-3-hydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H40O13 (584.246879)

(1r,9r,16r,18r,19r,20s,21r,29r,36s,38r,39r,40s)-10,30-dioxa-8,15,28,35-tetraazatridecacyclo[33.5.2.2¹⁵,²¹.0¹,³⁶.0²,⁷.0⁸,⁴⁰.0⁹,¹⁹.0¹³,¹⁸.0¹⁶,²¹.0²⁰,²⁸.0²²,²⁷.0²⁹,³⁹.0³³,³⁸]tetratetraconta-2,4,6,12,22,24,26,32-octaene

C38H40N4O2 (584.31511)

(1r,2s,5r,6r,10s,13r,14s,16s)-6-(furan-3-yl)-13-hydroxy-16-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl (2e)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(1r,2s,5r,6r,10s,13r,14s,16s)-6-(furan-3-yl)-13-hydroxy-16-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl (2e)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(2s,3r,4s,5s,6r)-2-{4-[(2r,3s)-4-hydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-(hydroxymethyl)butyl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H40O13 (584.246879)

(2e)-but-2-en-2-yl (1r,2s,5r,6r,10s,13r,14s,16s)-6-(furan-3-yl)-13-hydroxy-16-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-ene-14-carboxylate

C32H40O10 (584.2621340000001)

n-{5,8-dihydroxy-7-[hydroxy(phenyl)methyl]-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl}-2-(dimethylamino)-3-methylpentanimidic acid

C34H40N4O5 (584.299855)

(1r,2r,4as,6as,6br,8ar,9r,10r,11r,12ar,12br,14bs)-1,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-[(sulfooxy)methyl]-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C30H48O9S (584.3018878)

3-(4-methoxyphenyl)-1-{1,6,7-trihydroxy-9-[4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl}propan-1-one

C35H36O8 (584.2410056)

(1r,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2e)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

6-(furan-3-yl)-9,13-dihydroxy-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-14-yl 2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(2s)-n-[(3s,4s,7s,10e)-5,8-dihydroxy-7-[hydroxy(phenyl)methyl]-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

C34H40N4O5 (584.299855)

(2s)-n-[(3s,4s,7r,10z)-5,8-dihydroxy-7-[(s)-hydroxy(phenyl)methyl]-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

C34H40N4O5 (584.299855)

2-(4-{4-hydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-(hydroxymethyl)butyl}-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C28H40O13 (584.246879)

(r)-[(1r,5r,8ar)-1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1h-isochromen-5-yl][(4r,5r)-4-(2-methoxy-2-oxoethyl)-3,3,5-trimethyl-6-oxocyclohex-1-en-1-yl]methyl (2s)-2-methylbutanoate

C32H40O10 (584.2621340000001)

2-({4-[4-(4-hydroxy-3,5-dimethoxycyclohexa-1,5-dien-1-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxycyclohexa-2,4-dien-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C28H40O13 (584.246879)

3-(4-methoxyphenyl)-1-[(9s)-1,6,7-trihydroxy-9-[(2r,3r)-4-(4-hydroxyphenyl)-3-methylbutan-2-yl]-3-methoxy-9h-xanthen-2-yl]propan-1-one

C35H36O8 (584.2410056)

3-(2-{[3-(2-carboxyethyl)-5-{[(2z)-3-ethenyl-5-hydroxy-4-methylpyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-2-yl]methyl}-5-{[(2z)-4-ethenyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid

C33H36N4O6 (584.2634716)

(4ar,5s,7r,8s,8ar)-5-(acetyloxy)-4a-[(acetyloxy)methyl]-4-(chloromethyl)-4-hydroxy-8-[(2r)-2-hydroxy-2-(5-oxo-2h-furan-3-yl)ethyl]-7,8-dimethyl-hexahydro-1h-naphthalen-1-yl (2e)-2-methylbut-2-enoate

C29H41ClO10 (584.2388116000001)

(1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl (2z)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(oct-1-en-3-yloxy)oxan-3-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

C25H44O15 (584.2680074)

(1r,2r,4r,6s,8r,11r,12s,13r,16r,17r,19s,20r)-17-(acetyloxy)-8-(furan-3-yl)-4,12-dihydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-19-yl (2e)-2-methylbut-2-enoate

C33H44O9 (584.2985174)

(2s)-n-[(3s,4s,7s,10z)-5,8-dihydroxy-7-[(r)-hydroxy(phenyl)methyl]-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

C34H40N4O5 (584.299855)

(1r,2r,5r,6r,10s,13s,14r,16s)-6-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl (2e)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

methyl (6r)-6-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate

C33H44O9 (584.2985174)

n-[2-({[(1s,2s,3s,4s,5r,6s,8s,9s,10r,13s,16s,17s)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]oxy}carbonyl)phenyl]ethanimidic acid

C32H44N2O8 (584.3097504)

n-[2-({[(1s,2s,3s,4s,5r,6s,8s,9s,10r,13r,16r,17s)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]oxy}carbonyl)phenyl]ethanimidic acid

C32H44N2O8 (584.3097504)

methyl (2r,6r)-6-[(1r,3ar,5ar,9as,11s,11ar)-11-(acetyloxy)-3a,6,6,9a,11a-pentamethyl-3,4,7,10-tetraoxo-1h,2h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoate

C33H44O9 (584.2985174)

n-{5,8-dihydroxy-7-[hydroxy(phenyl)methyl]-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl}-2-(dimethylamino)-3-phenylpropanimidic acid

C34H40N4O5 (584.299855)

(1s,2s,6r,8s,11s,12r,13s,16s,17s,19r,20s)-17-(acetyloxy)-19-hydroxy-1,9,11,16-tetramethyl-8-(2-oxo-5h-furan-3-yl)-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl (2e)-2-methylbut-2-enoate

C33H44O9 (584.2985174)

3-(2-{[3-(2-carboxyethyl)-5-{[(2z)-3-ethenyl-5-hydroxy-4-methylpyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-2-yl]methyl}-5-{[(2e)-4-ethenyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-4-methyl-1h-pyrrol-3-yl)propanoic acid

C33H36N4O6 (584.2634716)

9-(furan-3-yl)-1-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl 2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

4-[(1r,3as,5as,7s,9r,9ar,10r,11ar)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

C29H44O12 (584.2832624)

4-[(10r)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

C29H44O12 (584.2832624)

(2s)-n-[(3s,4r,7r,10z)-5,8-dihydroxy-7-[(r)-hydroxy(phenyl)methyl]-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

C34H40N4O5 (584.299855)

(1s,2r,4r,6r,7r,11s,12r,14r,15r,16r,18s)-7-(furan-3-yl)-18-(2-methoxy-2-oxoethyl)-1,6,17,17-tetramethyl-9,19-dioxo-3,8,13-trioxahexacyclo[13.3.1.0²,⁴.0²,¹².0⁶,¹¹.0¹²,¹⁴]nonadecan-16-yl (2r)-2-methylbutanoate

C32H40O10 (584.2621340000001)

4-[(1r,3as,5as,7s,9r,9ar,10r,11ar)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-{[(2s,5r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one

C29H44O12 (584.2832624)

9-(furan-3-yl)-19-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8,18-trioxahexacyclo[14.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰.0¹⁴,¹⁹]icosan-20-yl (2e)-2-methylbut-2-enoate

C32H40O10 (584.2621340000001)

(1s,9s,13s,14z,19s,21r)-14-ethylidene-9-[(1s,12s,14r,15e)-15-ethylidene-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-13-yl]-10-oxa-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,11-tetraen-16-ium-16-olate

C38H40N4O2 (584.31511)

(2s)-2-{[(2s)-2-[(2s)-2-{[(2s,3s)-3-amino-10-chloro-1,2-dihydroxydecylidene]amino}-n-methylpropanamido]-1-hydroxy-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propanoic acid

C28H45ClN4O7 (584.2976610000001)

(1r,2r,4r,6s,8r,11r,12s,13r,16r,17r,19s,20r)-17-(acetyloxy)-8-(furan-3-yl)-4,19-dihydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl (2e)-2-methylbut-2-enoate

C33H44O9 (584.2985174)

[(1s,4as,6s,7r,7as)-6-(acetyloxy)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-4-{[(3-methylbutanoyl)oxy]methyl}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate

C29H44O12 (584.2832624)