Exact Mass: 382.253772
Exact Mass Matches: 382.253772
Found 500 metabolites which its exact mass value is equals to given mass value 382.253772,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pyrvinium
C26H28N3+ (382.22831080000003)
Pyrvinium, also known as molevac or pyrcon, belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. Pyrvinium is considered to be a practically insoluble (in water) and relatively neutral molecule. P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent
(3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al
(3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-beta-caroten-12-al is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-beta-caroten-12-al is considered to be an isoprenoid lipid molecule (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-beta-caroten-12-al is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-beta-caroten-12-al can be found in a number of food items such as sweet cherry, jute, sunburst squash (pattypan squash), and atlantic herring, which makes (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-beta-caroten-12-al a potential biomarker for the consumption of these food products. (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-β-caroten-12-al is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-β-caroten-12-al is considered to be an isoprenoid lipid molecule (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-β-caroten-12-al is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-β-caroten-12-al can be found in a number of food items such as sweet cherry, jute, sunburst squash (pattypan squash), and atlantic herring, which makes (3s,5r,6s)-5,6-epoxy-3-hydroxy-5,6-dihydro-12-apo-β-caroten-12-al a potential biomarker for the consumption of these food products.
(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al
(3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al is considered to be an isoprenoid lipid molecule (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al can be found in a number of food items such as yellow wax bean, green bean, chia, and pepper (c. pubescens), which makes (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al a potential biomarker for the consumption of these food products. (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-β-caroten-12-al is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-β-caroten-12-al is considered to be an isoprenoid lipid molecule (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-β-caroten-12-al is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-β-caroten-12-al can be found in a number of food items such as yellow wax bean, green bean, chia, and pepper (c. pubescens), which makes (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-β-caroten-12-al a potential biomarker for the consumption of these food products.
Misoprostol
Misoprostol is only found in individuals that have used or taken this drug. It is a synthetic analog of natural prostaglandin E1. It produces a dose-related inhibition of gastric acid and pepsin secretion, and enhances mucosal resistance to injury. It is an effective anti-ulcer agent and also has oxytocic properties. [PubChem]Misoprostol seems to inhibit gastric acid secretion by a direct action on the parietal cells through binding to the prostaglandin receptor. The activity of this receptor is mediated by G proteins which normally activate adenylate cyclase. The indirect inhibition of adenylate cyclase by Misoprostol may be dependent on guanosine-5’-triphosphate (GTP). The significant cytoprotective actions of misoprostol are related to several mechanisms. These include: 1. Increased secretion of bicarbonate, 2. Considerable decrease in the volume and pepsin content of the gastric secretions, 3. It prevents harmful agents from disrupting the tight junctions between the epithelial cells which stops the subsequent back diffusion of H+ ions into the gastric mucosa, 4. Increased thickness of mucus layer, 5. Enhanced mucosal blood flow as a result of direct vasodilatation, 6. Stabilization of tissue lysozymes/vascular endothelium, 7. Improvement of mucosal regeneration capacity, and 8. Replacement of prostaglandins that have been depleted as a result of various insults to the area. Misoprostol has also been shown to increase the amplitude and frequency of uterine contractions during pregnancy via selective binding to the EP-2/EP-3 prostanoid receptors. A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BB - Prostaglandins G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AD - Prostaglandins C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D012102 - Reproductive Control Agents > D010120 - Oxytocics C78568 - Prostaglandin Analogue
Farnesiferol A
Constituent of Ferula assa-foetida (asafoetida) and other Ferula subspecies Farnesiferol A is found in herbs and spices and green vegetables. Gummosin is found in herbs and spices. Gummosin is from Ferula gummosa (galbanum).
Gancaonin R
Gancaonin R is found in herbs and spices. Gancaonin R is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin R is found in herbs and spices.
Apo-12'-violaxanthal
Apo-12-violaxanthal is found in fruits. Apo-12-violaxanthal is isolated from plums Prunus domestic Isolated from plums Prunus domestica. Apo-12-violaxanthal is found in fruits.
(3'alpha,5'alpha,9'xi,10'beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone
(3beta,5alpha,9xi,10beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone is found in herbs and spices. (3beta,5alpha,9xi,10beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone is a constituent of Ferula galbaniflua (galbanum). Constituent of Ferula galbaniflua (galbanum). (3a,5a,9x,10b)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone is found in herbs and spices.
Farnesiferol B
Farnesiferol B is found in green vegetables. Farnesiferol B is a constituent of Ferula assa-foetida (asafoetida)
Assafoetidin
Constituent of Ferula assa-foetida (asafoetida). Assafoetidin is found in herbs and spices and green vegetables. Assafoetidin is found in green vegetables. Assafoetidin is a constituent of Ferula assa-foetida (asafoetida).
(-)-Farnesiferol C
(-)-Farnesiferol C is found in green vegetables. (-)-Farnesiferol C is a constituent of Ferula assa-foetida (asafoetida)
(R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol
(R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol is found in cereals and cereal products. (R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol is isolated from rice bra Isolated from rice bran. (R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol is found in cereals and cereal products. D020011 - Protective Agents > D000975 - Antioxidants > D024508 - Tocotrienols D018977 - Micronutrients > D014815 - Vitamins
Foetidin
Constituent of the roots of Ferula assa-foetida (asafoetida). Foetidin is found in herbs and spices and green vegetables. Foetidin is found in green vegetables. Foetidin is a constituent of the roots of Ferula assa-foetida (asafoetida).
(11R,16S)-misoprostol
13,14-Dihydro-15-keto-20-ethyl prostaglandin f2alpha
Carboprost methyl
Phorone A
serofendic acid
C21H34O4S (382.21776840000007)
Tetrofosmin
C18H40O4P2 (382.24017000000003)
Levonorgestrel butyrate
Apo-12'-capsorubinal
Apo-12-capsorubinal is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Apo-12-capsorubinal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-12-capsorubinal can be found in a number of food items such as italian sweet red pepper, green bell pepper, red bell pepper, and yellow bell pepper, which makes apo-12-capsorubinal a potential biomarker for the consumption of these food products.
Calcium caprate
C20H38CaO4 (382.23958580000004)
It is used as a food additive .
Methyl 8beta,17-epoxy-3beta,7beta,15-trihydroxy-12(E)-labden-16-oate
[1R-(1R*,2S*,6S*,9S*)]-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene-2,6-diol 6-acetate 2-benzoate
Stemphyloxin I
An octahydronaphthalene that is 2,4,5,7-tetramethyloctahydronaphthalen-1(2H)-one which is substituted by hydroxy groups at positions 2 and 7, a (2R)-1-hydroxybutan-2-yl group at position 3, and a (2Z)-3-hydroxyprop-2-enoyl group at position 4 (the 2S,3R,4R,4aS,5R,7R,8aS stereoisomer). Isolated from the endophytic fungus Stemphylium botryosum, it is the causal agent of leaf spot and foliage blight disease in tomatoes. Its phytotoxcity is at least 200 times greater than that of stemphyloxin II. It shows high affinity for Fe(3+) (but not Fe(2+)) ions.
3-Hydroxy-5-methyl-2-[8-oxo-farnesyl]-coumaran-3-one
2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
[1R-[1alpha(E),2alpha,4abeta,5beta]]-1,2,3,4,4a,5,6,7-Octahydro-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-7-oxo-1-naphthalenyl ester 3-phenyl-2-propenoic acid
(Z)-3,8-Dihydro-6,6;7,3??-diligustilide|3,8-Dihydro-6,6:7,3a-diliguetilide
methyl 9-trimethylsilyloxy-10,12-E,E-octadecadienoate|Methyldimorphecolat
(+)-protopraesorediosic acid|(2R,3S)-Protopraesorediosic acid
1-Acetoxyprotolichesteric acid|13-acetoxyprotolichesterinic acid
3-anhydro-ophiobolin A|3-anhydroorphiobolin A|ophiobolin I
rel-(3R,5S)-5-{(1R,5Z,9E)-5-[(acetyloxy)methyl]-11-hydroxy-1,9-dimethylundeca-5,9-dien-1-yl}tetrahydro-2,2-dimethylfuran-3-ol
(5aS,5bR,7aS,11aS,11bR,13S,13aS,13bR)-5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydro-13-hydroxy-5b,8,8,11a,13a-pentamethyl-3H-cyclopenta[a]chrysen-3-one|24-oxo-24-homoscalara-16,25(26)-dien-12alpha-ol|phyllofenone D
17(S),20(R)-pregn-5-ene-3beta,11alpha,12beta,14beta,19,20-hexol|volubilol
2,3-Dihydro-7-hydroxy-2R*,3R*-dimethyl-2-[4,8-dimethyl-3(E),7-nonadienyl]-furo[3,2-c]coumarin
1,4-Dihydroxy-2-tetraprenylbenzol|2-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-benzenediol|2-<(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl>-1,4-hydroquinone|2-<(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl>benzene-1,4-diol|2-Tetraprenyl-1,4-benzenediol|2-tetraprenyl-1,4-hydroquinone|2-tetraprenylbenzene-1,4-diol|geranylgeranyl-1,4-hydroquinone|geranylgeranylhydroquinone
3beta-hydroxy-6beta-cynnamoyloxy-eudesm-4-en-1-one
13-trimethylsiloxy 9,11-octadecadienoic methyl ester
3-hydroxy-2-(hydroxymethyl)-4-(14-methylhexadecanoyl)-2H-furan-5-one
(22E)-11beta-hydroxy-24-norcholesta-1,4,22-trien-3-one
3-carboxy-5-(carboxymethyl)-4-tetradecyl-1-oxacyclopent-3-en-2-one
(2E,6Z,12S,13E)-7-[(acetyloxy)methyl]-3,11,15-trimethylhexadeca-2,6,13-triene-1,12,15-triol
(3alpha,5beta,6alpha,11beta,17alphaOH)-3,6,11,17,21-Pentahydroxypregnan-20-one
13-Phenylacetoxy-lupanin|phenyl-acetic acid 11-oxo-dodecahydro-7,14-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-2-yl ester
baigene B|rel-(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,3-dihydro-8-hydroxy-2,3-dimethyl-4H-furo[2,3-b][1]benzopyran-4-one
8alpha-methoxyl-14-deoxy-17beta-hydroxyandrographolide
methyl 6beta,7beta,16beta,17-tetrahydroxy-ent-kauran-18-oate
3-hydroxymethyl-1-methyl-aspidofractinine-3-carboxylic acid methyl ester|Pleiocarpolinin
(+)-pyrifoline|1-acetyl-6,17-dimethoxy-aspidofractinine|Pyrifolin
methyl (20R,22E)-3-oxochola-1,4,22-trien-24-oate|methyl 3-oxochola-1,4,22-trien-24-oate
Estra-1,3,5(10)-triene-3,17beta-diol 17-cyclohexanecarboxylate
6alpha-(4-O-methyl-7E-coumaryloxy)eudesm-4(14)-ene
(4S*,5S*,7R*)-1,4-dimethyl-7-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.4]non-1-ene-2-carbaldehyde
(2R*,5S*,10S*)-6,10-dimethyl-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]dec-6-en-8-one
(2R*,5S*,10S*)-10-methyl-6-methylene-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]decan-8-one
stemphyloxin II
A carbotricyclic compound that is betaenone A in which the butan-2-yl side-chain has been hydroxylated at position 1. A phytotoxin isolated from the endophytic fungus Stemphylium botryosum, it shows high affinity for ferric (but not ferrous) ions.
7-{[(1S,4aS,6S,8aR)-6-hydroxy-1,2,5,5-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]methoxy}-2H-chromen-2-one|fnarthexol
(20S,22E)-20-hydroxy-24-norcholesta-1,4,22-trien-3-one
12beta-hydroxy-24-norcholesta-1,4,22-trien-3-one|24-norcholesta-1,4,22-trien-12beta-ol-3-one
17-hydroxy-3,20-dimethyl-yohimbane-16-carboxylic acid methyl ester
3beta,5beta,6beta,14beta,16alpha-pentahydroxy-2beta-methoxygrayan-10(20)-ene|rhodomolin A
(2E,6Z,12R,14S)-7-[(acetyloxy)methyl]-3,11,15-trimethylhexadeca-2,6,15-triene-1,12,14-triol
1-(3-Hydroxyphenyl)-14-phenyl-2-tetradecanol|3-(2-hydroxy-14-phenyltetradecyl)phenol
1beta,3alpha,17alpha,20beta,21-Pentahydroxy-5beta-pregnan-11-on
7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid
(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12-apo-beta-caroten-12-al
Peramivir Trihydrate
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AH - Neuraminidase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent D004791 - Enzyme Inhibitors
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate [IIN-based: Match]
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate [IIN-based on: CCMSLIB00000847252]
(3S)-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
C22H30N4O2 (382.23686399999997)
CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3281; ORIGINAL_PRECURSOR_SCAN_NO 3279 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3258; ORIGINAL_PRECURSOR_SCAN_NO 3255 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3250; ORIGINAL_PRECURSOR_SCAN_NO 3246 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3264; ORIGINAL_PRECURSOR_SCAN_NO 3262 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3249; ORIGINAL_PRECURSOR_SCAN_NO 3247 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3253; ORIGINAL_PRECURSOR_SCAN_NO 3251 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7067; ORIGINAL_PRECURSOR_SCAN_NO 7062 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7115; ORIGINAL_PRECURSOR_SCAN_NO 7111 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7096; ORIGINAL_PRECURSOR_SCAN_NO 7094 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7108; ORIGINAL_PRECURSOR_SCAN_NO 7105 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7117; ORIGINAL_PRECURSOR_SCAN_NO 7115 CONFIDENCE standard compound; INTERNAL_ID 189; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7119; ORIGINAL_PRECURSOR_SCAN_NO 7117
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate_major
Ala Pro Pro Val
Ala Pro Val Pro
Ala Val Pro Pro
Gly Ile Pro Pro
Gly Leu Pro Pro
Gly Pro Ile Pro
Gly Pro Leu Pro
Gly Pro Pro Ile
Gly Pro Pro Leu
Ile Gly Pro Pro
Ile Pro Gly Pro
Ile Pro Pro Gly
Leu Gly Pro Pro
Leu Pro Gly Pro
Leu Pro Pro Gly
Pro Ala Pro Val
Pro Ala Val Pro
Pro Gly Ile Pro
Pro Gly Leu Pro
Pro Gly Pro Ile
Pro Gly Pro Leu
Pro Ile Gly Pro
Pro Ile Pro Gly
Pro Leu Gly Pro
Pro Leu Pro Gly
Pro Pro Ala Val
Pro Pro Gly Ile
Pro Pro Gly Leu
Pro Pro Ile Gly
Pro Pro Leu Gly
Pro Pro Val Ala
Pro Val Ala Pro
Pro Val Pro Ala
Val Ala Pro Pro
Val Pro Ala Pro
Val Pro Pro Ala
Unoprostone
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EE - Prostaglandin analogues C78568 - Prostaglandin Analogue
Apo-12'-violaxanthal
(R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol
9-Octadecenoic acid (Z)-, (2-hydroxy-1,3,2-dioxaborolan-4-yl)methylester
(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(3-methylbutoxy)quinolin-4-yl]methanol
Carboprost methylate
Urea, N-cyclohexyl-N-cyclopentyl-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]- (9CI)
Bis[2-(3,4-epoxycyclohexyl)ethyl] tetramethyldisiloxane
(2E,4E,6E,8E)-BUTYL 9-(4-METHOXY-2,3,6-TRIMETHYLPHENYL)-3,7-DIMETHYLNONA-2,4,6,8-TETRAENOATE
(1S,2S,5R)-Methyl 3-((S)-2-(tert-butoxycarbonylamino)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
C20H34N2O5 (382.24675940000003)
N-(1-adamantyl)-1-(5-fluoropentyl)indole-3-carboxamide
C24H31FN2O (382.24202879999996)
Methyl (8β,11α,13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate
1,1-Biphenyl, 4-[(trans,trans)-4-ethyl[1,1-bicyclohexyl]-4-yl]-3,4-difluoro-
trans-4-Propylcyclohexanecarboxylic acid 2,3-dicyano-4-(pentyloxy)phenyl ester
[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] acetate
Quingestrone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C389 - Oral Contraceptive
(11R,16S)-misoprostol
D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D012102 - Reproductive Control Agents > D010120 - Oxytocics
1(2H)-Naphthalenone, octahydro-2,7-dihydroxy-3-((1R)-1-(hydroxymethyl)propyl)-4-((2Z)-3-hydroxy-1-oxo-2-propenyl)-2,4,5,7-tetramethyl-, (2S,3R,4R,4aS,5R,7R,8aS)-rel-
Misoprostol
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BB - Prostaglandins G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AD - Prostaglandins C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D012102 - Reproductive Control Agents > D010120 - Oxytocics C78568 - Prostaglandin Analogue
5,18-Dihydroxy-1,4,8,12,16,16-hexamethyltetracyclo[9.8.0.02,7.012,17]nonadeca-2(7),3,5,8-tetraen-10-one
2-[3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]benzene-1,4-diol
Apo-12'-capsorubinal
Apo-12-capsorubinal is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Apo-12-capsorubinal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-12-capsorubinal can be found in a number of food items such as italian sweet red pepper, green bell pepper, red bell pepper, and yellow bell pepper, which makes apo-12-capsorubinal a potential biomarker for the consumption of these food products.
(3E,5E,7E,9E,11E,13E)-14-[(1R,4R)-4-hydroxy-2,2-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,8,12-trimethyltetradeca-3,5,7,9,11,13-hexaenal
methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate
(E)-7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid
[3-carboxy-2-[(5E,7E,9E)-3-hydroxytetradeca-5,7,9-trienoyl]oxypropyl]-trimethylazanium
C21H36NO5+ (382.25933460000005)
[3-carboxy-2-[(6E,9E,12E)-3-hydroxytetradeca-6,9,12-trienoyl]oxypropyl]-trimethylazanium
C21H36NO5+ (382.25933460000005)
[3-carboxy-2-[(7E,9E,11E)-3-hydroxytetradeca-7,9,11-trienoyl]oxypropyl]-trimethylazanium
C21H36NO5+ (382.25933460000005)
[3-carboxy-2-[(8E,10E,12E)-3-hydroxytetradeca-8,10,12-trienoyl]oxypropyl]-trimethylazanium
C21H36NO5+ (382.25933460000005)
[3-carboxy-2-[(6E,8E,10E)-3-hydroxytetradeca-6,8,10-trienoyl]oxypropyl]-trimethylazanium
C21H36NO5+ (382.25933460000005)
[3-carboxy-2-[(5E,8E,11E)-3-hydroxytetradeca-5,8,11-trienoyl]oxypropyl]-trimethylazanium
C21H36NO5+ (382.25933460000005)
[3-carboxy-2-[(4E,6E,8E)-3-hydroxytetradeca-4,6,8-trienoyl]oxypropyl]-trimethylazanium
C21H36NO5+ (382.25933460000005)
[3-carboxy-2-[(4E,10E,12E)-3-hydroxytetradeca-4,10,12-trienoyl]oxypropyl]-trimethylazanium
C21H36NO5+ (382.25933460000005)
[3-carboxy-2-[(4E,7E,10E)-3-hydroxytetradeca-4,7,10-trienoyl]oxypropyl]-trimethylazanium
C21H36NO5+ (382.25933460000005)
[3-Carboxy-2-[3-(3,4-dimethyl-5-pentylfuran-2-yl)propanoyloxy]propyl]-trimethylazanium
C21H36NO5+ (382.25933460000005)
Ala-Val-Pro-Pro
A tetrapeptide composed of L-alanine, L-valine, and two L-proline units joined in sequence by peptide linkages.
3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-N-[2-(2-methyl-1-piperidinyl)ethyl]propanamide
C22H30N4O2 (382.23686399999997)
(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-10-(methylaminomethyl)-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
rel-(4S,5S,7R)-1,4-Dimethyl-7-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.4]non-1-ene-2-carbaldehyde
A natural product found in Carthamus oxyacantha.
rel-(2R,5S,10S)-6,10-Dimethyl-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]dec-6-en-8-one
A natural product found in Carthamus oxyacantha.
rel-(2R,5S,10S)-10-Methyl-6-methylene-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]decan-8-one
A natural product found in Carthamus oxyacantha.
N-(2-hydroxypropyl)-1-[(4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxamide
2-[(2S,3R,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C19H34N4O4 (382.25799240000003)
(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-10-(methylaminomethyl)-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
2-[(2R,3S,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C19H34N4O4 (382.25799240000003)
2-[(2S,3S,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C19H34N4O4 (382.25799240000003)
N-[[(2R,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-(cyclopropylmethyl)-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide
[(8R,9S,10S)-9-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9R,10R)-9-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
1-[(2R,3R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazaspiro[3.3]heptan-6-yl]propan-1-one
(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-10-(methylaminomethyl)-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
2-[(2R,3S,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C19H34N4O4 (382.25799240000003)
2-[(2S,3R,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C19H34N4O4 (382.25799240000003)
2-[(2S,3S,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C19H34N4O4 (382.25799240000003)
2-[(2R,3R,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C19H34N4O4 (382.25799240000003)
2-[(2R,3R,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C19H34N4O4 (382.25799240000003)
N-[[(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-(cyclopropylmethyl)-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide
[(8R,9R,10S)-9-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10R)-9-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
1-[(2S,3S)-1-(cyclopentylmethyl)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazaspiro[3.3]heptan-6-yl]propan-1-one
N-[2-(2-aminoethoxy)ethyl]-4-(2-hydroxy-4-phenylcyclohexyl)benzamide
All-cis-5,8,11,14,17,20,23-hexacosaheptaenoic acid
(2-Acetamido-3-hydroxynonyl) 2-(trimethylazaniumyl)ethyl phosphate
C16H35N2O6P (382.22326200000003)
[3-Hydroxy-2-(propanoylamino)octyl] 2-(trimethylazaniumyl)ethyl phosphate
C16H35N2O6P (382.22326200000003)
(1-hydroxy-3-propanoyloxypropan-2-yl) (9Z,12Z)-hexadeca-9,12-dienoate
(1-acetyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-heptadeca-9,12-dienoate
Pyrvinium
C26H28N3+ (382.22831080000003)
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent
Tocotrienol
D020011 - Protective Agents > D000975 - Antioxidants > D024508 - Tocotrienols D018977 - Micronutrients > D014815 - Vitamins
C25-Allenic-apo-aldehyde
C25-epoxy-apo-aldehyde
desmethyl tocotrienol
A tocotrienol that is chroman-6-ol substituted by a methyl group at position 2 and a farnesyl group at position 2.
9-oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid
DG(19:2)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 2-phenylacetate
(1s,2r,4r,6r,7s,8r,10z,11r,12r)-1,4,11-trihydroxy-12-[(2s)-1-hydroxybutan-2-yl]-10-(hydroxymethylidene)-4,6,8,11-tetramethyltricyclo[6.2.2.0²,⁷]dodecan-9-one
2,7-dihydroxy-3-(1-hydroxybutan-2-yl)-4-(3-hydroxyprop-2-enoyl)-2,4,5,7-tetramethyl-hexahydronaphthalen-1-one
(1s,3as,3br,7s,9as,9bs,10s,11s,11as)-1-[(1r)-1-hydroxyethyl]-9a-(hydroxymethyl)-11a-methyl-1h,2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3a,7,10,11-tetrol
1,4,11-trihydroxy-12-(1-hydroxybutan-2-yl)-10-(hydroxymethylidene)-4,6,8,11-tetramethyltricyclo[6.2.2.0²,⁷]dodecan-9-one
15-hydroxy-5-methyl-6-[2-methyl-3-(prop-1-en-1-yl)oxiran-2-yl]tetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one
2-[(2e,6e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,6-dien-1-yl]benzene-1,4-diol
(1r,3s,4r,7r,8e,11r,12e)-4-hydroxy-1,4-dimethyl-12-[(3e)-6-methylhepta-3,5-dien-2-ylidene]-6-oxotricyclo[9.3.0.0³,⁷]tetradec-8-ene-8-carbaldehyde
(3s)-3-{2-[(1s,2s,8ar)-5,5-bis(hydroxymethyl)-2,8a-dimethyl-1,2,3,6,7,8-hexahydronaphthalen-1-yl]ethyl}-4-hydroxybutyl acetate
13-hydroxy-5b,8,8,11a,13a-pentamethyl-5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h,13bh-cyclopenta[a]chrysen-3-one
(2z,6e)-8-hydroxy-2-[(4r)-4-[(2s,4r)-4-hydroxy-5,5-dimethyloxolan-2-yl]pentyl]-6-methylocta-2,6-dien-1-yl acetate
(1s,5s,9r,11r)-14-[(2s)-7-hydroxy-6-methylhept-5-en-2-yl]-4-(hydroxymethyl)-8,11-dimethyltetracyclo[9.3.0.0¹,⁵.0⁵,⁹]tetradeca-3,7,13-trien-6-one
methyl (1r,2r,3s,4s,5s,9s,10s,13r,14s)-2,3,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
2-[(2e,6e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,6-dien-1-yl]benzene-1,4-diol
(2s)-2-methyl-2-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-1-benzopyran-6-ol
1-(1-hydroxyethyl)-9a,11a-dimethyl-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-1,3a,3b,7,11-pentol
n-(1-{[2-(1h-indol-3-yl)acetyl]oxy}-4-methylpentan-2-yl)-2-methylhexa-2,4-dienimidic acid
methyl (2e)-4-[(1r,2s,3s,4ar,6s,8ar)-3,6-dihydroxy-5,5,8a-trimethyl-hexahydro-1h-spiro[naphthalene-2,2'-oxiran]-1-yl]-2-(2-hydroxyethyl)but-2-enoate
(2s,3r,4s,4as,5r,7r,8as)-2,7-dihydroxy-3-[(2r)-1-hydroxybutan-2-yl]-4-[(2z)-3-hydroxyprop-2-enoyl]-2,4,5,7-tetramethyl-hexahydronaphthalen-1-one
(1s,5r)-5-hydroxy-5-(1-hydroxypentadecyl)-4-oxocyclopent-2-en-1-yl acetate
methyl (2e,6s)-6-[(1s,2s,3s,7s)-6,14-dimethylidenetricyclo[8.4.1.0²,⁷]pentadec-10-en-3-yl]-2-methylhept-2-enoate
(2s,3r,4r,4as,5r,7r,8as)-2,7-dihydroxy-3-[(2r)-1-hydroxybutan-2-yl]-4-[(2z)-3-hydroxyprop-2-enoyl]-2,4,5,7-tetramethyl-hexahydronaphthalen-1-one
(1r,3as,3br,9ar,9bs,11r,11ar)-11-hydroxy-9a,11a-dimethyl-1-[(2r,3e)-5-methylhex-3-en-2-yl]-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1's,2s,3s,3'r,5r,7'r,11's)-3,3',14'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxospiro[oxolane-2,6'-tricyclo[9.3.0.0³,⁷]tetradecane]-9',13'-diene-10'-carbaldehyde
1-[(1r,2s)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]pentadecyl acetate
(2s,5r)-5-hydroxy-2-[(5e,9r)-2,9,10-trihydroxy-6,10-dimethylundec-5-en-2-yl]-3,5,6,7-tetrahydro-2h-1-benzofuran-4-one
(1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-[(1s)-1-hydroxyethyl]-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3a,3b,7,10,11-pentol
(1s,2s,4s,9s,10r)-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 2-phenylacetate
1-(2-hydroxy-5-methylhex-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
4-hydroxy-1,4,13-trimethyl-15-(2-methylprop-1-en-1-yl)-16-oxatetracyclo[9.7.0.0³,⁷.0¹²,¹⁷]octadeca-8,11,17-triene-8-carbaldehyde
3,6,11,17,21-pentahydroxypregnan-20-one
{"Ingredient_id": "HBIN007684","Ingredient_name": "3,6,11,17,21-pentahydroxypregnan-20-one","Alias": "NA","Ingredient_formula": "C21H34O6","Ingredient_Smile": "CC12CCC(CC1C(CC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O)O)O","Ingredient_weight": "382.49","OB_score": "NA","CAS_id": "67010-77-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8248","PubChem_id": "194242","DrugBank_id": "NA"}
4-o-acetylhygrophorone b14
{"Ingredient_id": "HBIN010739","Ingredient_name": "4-o-acetylhygrophorone b14","Alias": "NA","Ingredient_formula": "C22H38O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "430","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-acetylhygrophorone b14
{"Ingredient_id": "HBIN012603","Ingredient_name": "6-o-acetylhygrophorone b14","Alias": "NA","Ingredient_formula": "C22H38O5","Ingredient_Smile": "CCCCCCCCCCCCCCC(C1(C(C=CC1=O)O)O)OC(=O)C","Ingredient_weight": "382.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "431","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11349581","DrugBank_id": "NA"}
(1s,3as,3br,7s,9ar,9bs,10s,11s,11as)-1-(1-hydroxyethyl)-9a,11a-dimethyl-2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-1,3a,7,10,11-pentol
5-[5-(acetyloxy)-3-methylpentyl]-6-hydroxy-1,4a,6-trimethyl-hexahydro-2h-naphthalene-1-carboxylic acid
(2s,5r)-5-hydroxy-2-[(2s,9r)-2,9,10-trihydroxy-6,10-dimethylundec-5-en-2-yl]-3,5,6,7-tetrahydro-2h-1-benzofuran-4-one
(4s,5s,7r)-1,4-dimethyl-7-(2-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}propan-2-yl)spiro[4.4]non-1-ene-2-carbaldehyde
4-hydroxy-5-(hydroxymethyl)-3-(14-methylhexadecanoyl)-5h-furan-2-one
(1s,2r,5s,7s,10s,12r,13s,14r)-13-(hydroxymethyl)-8-isopropyl-7-methoxy-2,5-dimethyl-15-oxatetracyclo[10.2.1.0²,¹⁰.0⁵,⁹]pentadec-8-ene-1,10,14-triol
(1r,3s,7r,8e,11s,12s)-12-[(1r)-1-(5,5-dimethyl-2h-furan-2-yl)ethyl]-1,4-dimethyl-6-oxotricyclo[9.3.0.0³,⁷]tetradeca-4,8-diene-8-carbaldehyde
(2r,5r,10r)-10-methyl-6-methylidene-2-(2-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}propan-2-yl)spiro[4.5]decan-7-one
methyl (2e,6s)-2-methyl-6-[(1s,2r,3r,4r,11s,15s)-4-methyl-12-methylidenetetracyclo[9.4.0.0²,⁴.0³,⁸]pentadec-7-en-15-yl]hept-2-enoate
(1s,3as,3bs,9ar,9bs,11as)-1-[(2s,3e)-2-hydroxy-5-methylhex-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(5z)-5-[(2s,6e,10e)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dien-1-ylidene]-3-methylfuran-2-one
1-{4,15-dimethoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3(8),4,6-trien-2-yl}ethanone
(1's,2s,3s,3'r,5r,7'r,9'e,11'r)-3,3',14'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxospiro[oxolane-2,6'-tricyclo[9.3.0.0³,⁷]tetradecane]-9',13'-diene-10'-carbaldehyde
2-(14-carboxytetradecyl)-4-methylidene-5-oxooxolane-3-carboxylic acid
2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)benzene-1,4-diol
(2z,6r,7s,8e)-7,10-dihydroxy-2-[(4e)-6-hydroxy-4-methylhex-4-en-1-ylidene]-6,10-dimethylundec-8-en-1-yl acetate
(1r,3z)-1-[(2s,5s,7r,8r)-2-[(2s)-2-hydroxyhept-6-en-1-yl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]hex-3-ene-1,6-diol
{3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8-tetraen-17-yl}methyl acetate
1,9,9b-trihydroxy-6,6,9a-trimethyl-1h,3h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl hexanoate
(2s,3r,4s,5s,6r)-2-(3-butyl-2,4-dihydroxy-6-pentylphenyl)-6-methyloxane-3,4,5-triol
1-(acetyloxy)-3-[5-(dec-9-en-1-yl)-2-oxooxolan-3-yl]propan-2-yl acetate
(1s,3s,4r,7s,8e,13s,15s)-4-hydroxy-1,4,13-trimethyl-15-(2-methylprop-1-en-1-yl)-16-oxatetracyclo[9.7.0.0³,⁷.0¹²,¹⁷]octadeca-8,11,17-triene-8-carbaldehyde
13-(hydroxymethyl)-8-isopropyl-7-methoxy-2,5-dimethyl-15-oxatetracyclo[10.2.1.0²,¹⁰.0⁵,⁹]pentadec-8-ene-1,10,14-triol
8-hydroxy-2-[4-(4-hydroxy-5,5-dimethyloxolan-2-yl)pentyl]-6-methylocta-2,6-dien-1-yl acetate
7-methoxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecane-3,4,6,14,16-pentol
3,3',14'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxospiro[oxolane-2,6'-tricyclo[9.3.0.0³,⁷]tetradecane]-9',13'-diene-10'-carbaldehyde
(2r)-2-(14-carboxytetradecyl)-4-methyl-5-oxo-2h-furan-3-carboxylic acid
(2r)-2-[13-(acetyloxy)tridecyl]-4-methyl-5-oxo-2h-furan-3-carboxylic acid
[4-hydroxy-1-(5-hydroxy-3-methylpentyl)-5-(hydroxymethyl)-1,4a-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl acetate
(1s,5r)-5-hydroxy-5-[(1s)-1-hydroxypentadecyl]-4-oxocyclopent-2-en-1-yl acetate
(2s)-1-[(2s)-1-[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
(1r,3s,4r,7s,8e,11r,12e)-4-hydroxy-1,4-dimethyl-12-[(3e)-6-methylhepta-3,5-dien-2-ylidene]-6-oxotricyclo[9.3.0.0³,⁷]tetradec-8-ene-8-carbaldehyde
(2e,4e,6s)-6-[(2s,3s,4r,5s,6s,8r,9s,10r)-9-ethyl-4,10-dihydroxy-3,5,8-trimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]hepta-2,4-dienoic acid
(1r,3s,7r,8e,11s,12r)-1,4-dimethyl-12-[(2s,3z)-6-methylhepta-3,5-dien-2-yl]-6-oxotricyclo[9.3.0.0³,⁷]tetradeca-4,8-diene-8-carboxylic acid
5,9,13-trimethyl-15-(6-methylhepta-1,5-dien-2-yl)-3-oxatetracyclo[9.2.2.0¹,⁹.0²,⁶]pentadec-12-ene-4,10-dione
(1s,3s,4r,7s,8e,13s)-4-hydroxy-1,4,13-trimethyl-15-(2-methylprop-1-en-1-yl)-16-oxatetracyclo[9.7.0.0³,⁷.0¹²,¹⁷]octadeca-8,11,17-triene-8-carbaldehyde
1,4-dimethyl-12-(6-methylhepta-3,5-dien-2-yl)-6-oxotricyclo[9.3.0.0³,⁷]tetradeca-4,8-diene-8-carboxylic acid
2-[(2e,6e,10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]benzene-1,4-diol
(1r,2s,5s,6s,9r,11s,15s)-5,9,13-trimethyl-15-(6-methylhepta-1,5-dien-2-yl)-3-oxatetracyclo[9.2.2.0¹,⁹.0²,⁶]pentadec-12-ene-4,10-dione
(4as,4br,6as,12as,12br,14as)-1,1,4a,6a,12b-pentamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthen-10-ol
5-ethyl-2,11,14-trimethyl-4,13,19,20-tetraoxatricyclo[14.2.1.1⁷,¹⁰]icosane-3,12-dione
(1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-(1-hydroxyethyl)-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3a,3b,7,10,11-pentol
(2r,5s,6s,9r,13s,15r)-15-hydroxy-5-methyl-6-[(2r,3s)-2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl]tetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one
6-{9-ethyl-4,10-dihydroxy-3,5,8-trimethyl-1,7-dioxaspiro[5.5]undecan-2-yl}hepta-2,4-dienoic acid
1a-[(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methyl]-2-hydroxy-2h,4h,5h,7bh-naphtho[1,2-b]oxiren-6-one
1-[(1s,2s)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]pentadecyl acetate
2-(3-butyl-2,4-dihydroxy-6-pentylphenyl)-6-methyloxane-3,4,5-triol
methyl 2-methyl-6-{6-methyl-14-methylidenetricyclo[8.4.1.0²,⁷]pentadeca-6,10-dien-3-yl}hept-2-enoate
(1's,2s,3s,3'r,5r,7'r,11'r)-3,3',14'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxospiro[oxolane-2,6'-tricyclo[9.3.0.0³,⁷]tetradecane]-9',13'-diene-10'-carbaldehyde
(2s,5r)-5-hydroxy-2-[(2s,5e,9r)-2,9,10-trihydroxy-6,10-dimethylundec-5-en-2-yl]-3,5,6,7-tetrahydro-2h-1-benzofuran-4-one
1-[(1r,2s,3r,3as,3bs,5as,7s,9as,9br,11ar)-2,3,3a,3b,7-pentahydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]ethanone
10-hydroxy-9a,11a-dimethyl-1-(5-methylhex-3-en-2-yl)-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
1-(1,2-dihydroxy-5-oxocyclopent-3-en-1-yl)pentadecyl acetate
3,15-dihydroxy-4,6,8,14-tetramethyl-5,9-dioxoheptadeca-10,12-dienoic acid
1-[(1s,2s,3r,3as,3bs,5as,7s,9as,9br,11ar)-2,3,3a,3b,7-pentahydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]ethanone
(1s,2r,5s,7r,10s,12r,13s,14r)-13-(hydroxymethyl)-8-isopropyl-7-methoxy-2,5-dimethyl-15-oxatetracyclo[10.2.1.0²,¹⁰.0⁵,⁹]pentadec-8-ene-1,10,14-triol
2-[13-(acetyloxy)tridecyl]-4-methyl-5-oxo-2h-furan-3-carboxylic acid
(2r,3s)-2-(14-carboxytetradecyl)-4-methylidene-5-oxooxolane-3-carboxylic acid
(1s,2s,5r,7r,10s,11s,14r,16r)-5-ethyl-2,11,14-trimethyl-4,13,19,20-tetraoxatricyclo[14.2.1.1⁷,¹⁰]icosane-3,12-dione
6-[8-hydroxy-7-(1-hydroxypropyl)-2,4,7,9-tetramethyl-1,6-dioxaspiro[4.4]nonan-2-yl]-3,5-dimethyl-5,6-dihydropyran-2-one
(1s,2s,4r,6r,7s,8r,10z,11s,12r)-1,4,11-trihydroxy-12-[(2r)-1-hydroxybutan-2-yl]-10-(hydroxymethylidene)-4,6,8,11-tetramethyltricyclo[6.2.2.0²,⁷]dodecan-9-one
(1s,4ar,5s,6s,8as)-5-[(3s)-5-(acetyloxy)-3-methylpentyl]-6-hydroxy-1,4a,6-trimethyl-hexahydro-2h-naphthalene-1-carboxylic acid
(2r,3s)-2-[13-(acetyloxy)tridecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
5-hydroxy-2-(2,5,6-trihydroxy-6,10-dimethylundec-9-en-2-yl)-3,5,6,7-tetrahydro-2h-1-benzofuran-4-one
(1's,2s,3s,3'r,5r,7'r,9'e,11's)-3,3',14'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxospiro[oxolane-2,6'-tricyclo[9.3.0.0³,⁷]tetradecane]-9',13'-diene-10'-carbaldehyde
(1s,3r,4r,6r,7s,8r,10s,13r,14r,16r)-7-methoxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecane-3,4,6,14,16-pentol
2-(14-carboxytetradecyl)-4-methyl-5-oxo-2h-furan-3-carboxylic acid
(3s,4s,6s,8r,10e,12e,14s,15r)-3,15-dihydroxy-4,6,8,14-tetramethyl-5,9-dioxoheptadeca-10,12-dienoic acid
methyl (2e)-4-[(1r,2s,3s,4ar,6s,8as)-3,6-dihydroxy-5,5,8a-trimethyl-hexahydro-1h-spiro[naphthalene-2,2'-oxiran]-1-yl]-2-(2-hydroxyethyl)but-2-enoate
(1s,3as,3br,7s,9ar,9bs,10s,11s,11as)-1-[(1r)-1-hydroxyethyl]-9a,11a-dimethyl-2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-1,3a,7,10,11-pentol
methyl 2-methyl-6-{4-methyl-12-methylidenetetracyclo[9.4.0.0²,⁴.0³,⁸]pentadec-7-en-15-yl}hept-2-enoate
(2z,6r,7r,9s)-7,9-dihydroxy-2-[(4e)-6-hydroxy-4-methylhex-4-en-1-ylidene]-6,10-dimethylundec-10-en-1-yl acetate
(2r,5s,6s,9r,15r)-15-hydroxy-5-methyl-6-[(2r,3s)-2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl]tetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one
2-[13-(acetyloxy)tridecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
(1r,3as,3br,9ar,9bs,11r,11ar)-11-hydroxy-9a,11a-dimethyl-1-[(2s,3e)-5-methylhex-3-en-2-yl]-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1s)-1-[(1s,2s)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]pentadecyl acetate
5-(carboxymethyl)-2-oxo-4-tetradecyl-5h-furan-3-carboxylic acid
5-hydroxy-5-(1-hydroxypentadecyl)-4-oxocyclopent-2-en-1-yl acetate
7,9-dihydroxy-2-(6-hydroxy-4-methylhex-4-en-1-ylidene)-6,10-dimethylundec-10-en-1-yl acetate
2,3,14-trihydroxy-2,6,10,14-tetramethylhexadeca-6,10,15-trien-8-yl acetate
methyl 2,3,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
(2s,5r)-5-hydroxy-2-[(2s,5r,6s)-2,5,6-trihydroxy-6,10-dimethylundec-9-en-2-yl]-3,5,6,7-tetrahydro-2h-1-benzofuran-4-one
5-hydroxy-2-(2,9,10-trihydroxy-6,10-dimethylundec-5-en-2-yl)-3,5,6,7-tetrahydro-2h-1-benzofuran-4-one
(2r,5s,6s,9r,13s,15s)-15-hydroxy-5-methyl-6-[(2r,3r)-2-methyl-3-[(1e)-prop-1-en-1-yl]oxiran-2-yl]tetracyclo[11.4.1.0²,¹⁰.0⁵,⁹]octadeca-1(17),10-dien-12-one
11-hydroxy-9a,11a-dimethyl-1-(5-methylhex-3-en-2-yl)-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
12-[1-(5,5-dimethyl-2h-furan-2-yl)ethyl]-1,4-dimethyl-6-oxotricyclo[9.3.0.0³,⁷]tetradeca-4,8-diene-8-carbaldehyde
(1s,2s,5s,6s,9r,11r,15r)-5,9,13-trimethyl-15-(6-methylhepta-1,5-dien-2-yl)-3-oxatetracyclo[9.2.2.0¹,⁹.0²,⁶]pentadec-12-ene-4,10-dione
(2s,3r,4r,4ar,5r,7r,8ar)-2,7-dihydroxy-3-[(2s)-1-hydroxybutan-2-yl]-4-[(2z)-3-hydroxyprop-2-enoyl]-2,4,5,7-tetramethyl-hexahydronaphthalen-1-one
(1r,3as,3bs,9ar,9bs,10s,11ar)-10-hydroxy-9a,11a-dimethyl-1-[(2r,3e)-5-methylhex-3-en-2-yl]-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(2s,5r)-5-hydroxy-2-[(5r)-2,5,6-trihydroxy-6,10-dimethylundec-9-en-2-yl]-3,5,6,7-tetrahydro-2h-1-benzofuran-4-one
1-[7-(5-hydroxypent-2-en-1-yl)-2-methyl-6,8-dioxabicyclo[3.2.1]octan-5-yl]dec-9-ene-3,5-diol
(2r,5s,10s)-6,10-dimethyl-2-(2-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}propan-2-yl)spiro[4.5]dec-6-en-8-one
methyl (2e,6s)-2-methyl-6-[(1s,2r,3s)-6-methyl-14-methylidenetricyclo[8.4.1.0²,⁷]pentadeca-6,10-dien-3-yl]hept-2-enoate
(2r,3r,4r,5r)-4-{[3,6-dimethyl-2-(4-methylpent-3-en-1-yl)phenyl]methoxy}hexane-1,2,3,5,6-pentol
(3s,5s)-1-[(1r,2r,5r,7r)-7-[(2z)-5-hydroxypent-2-en-1-yl]-2-methyl-6,8-dioxabicyclo[3.2.1]octan-5-yl]dec-9-ene-3,5-diol
1-[2-(2-hydroxyhept-6-en-1-yl)-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]hex-3-ene-1,6-diol
(3s,6e,8s,10e,14s)-2,3,14-trihydroxy-2,6,10,14-tetramethylhexadeca-6,10,15-trien-8-yl acetate
(1s,2s,4ar,8as)-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl 3-(4-methoxyphenyl)prop-2-enoate
[(1r,2r,4s,4ar,8ar)-4-hydroxy-1-[(3s)-5-hydroxy-3-methylpentyl]-5-(hydroxymethyl)-1,4a-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl acetate
1-{2,3,3a,3b,7-pentahydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl}ethanone
5-[13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dien-1-ylidene]-3-methylfuran-2-one
1-(1-hydroxyethyl)-9a-(hydroxymethyl)-11a-methyl-1h,2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3a,7,10,11-tetrol
1-(1-hydroxyethyl)-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3a,3b,7,10,11-pentol
methyl 4-{3,6-dihydroxy-5,5,8a-trimethyl-hexahydro-1h-spiro[naphthalene-2,2'-oxiran]-1-yl}-2-(2-hydroxyethyl)but-2-enoate
methyl 6-{6,14-dimethylidenetricyclo[8.4.1.0²,⁷]pentadec-10-en-3-yl}-2-methylhept-2-enoate
(1r,3s,7r,8e,11s,12r)-12-[(2s,3z)-4-[(2s)-3,3-dimethyloxiran-2-yl]but-3-en-2-yl]-1,4-dimethyl-6-oxotricyclo[9.3.0.0³,⁷]tetradeca-4,8-diene-8-carbaldehyde
3-{2-[(1s,2r,4as,5r,6r,8ar)-6-hydroxy-2,5-bis(hydroxymethyl)-2-methoxy-5,8a-dimethyl-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one
1-[(1s,9r,15r,16s,21r)-4,15-dimethoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3(8),4,6-trien-2-yl]ethanone
(4e,6e,8e,10e,12e)-14-(4-hydroxy-1,2,2-trimethylcyclopentyl)-2,7,11-trimethyl-14-oxotetradeca-2,4,6,8,10,12-hexaenal
(5ar,6r,9as,9bs)-7-methyl-6,9b-bis(3-methylbut-2-en-1-yl)-5a-(prop-2-en-1-yl)-2h,6h,9h,9ah-naphtho[1,2-d][1,3]dioxol-5-one
(4s)-2-{[(1r,5r)-2-[(2s,5s)-5,6-dihydroxy-6-methylheptan-2-yl]-5-hydroxy-5-methylcyclopent-2-en-1-yl]methyl}-3,4-dihydroxycyclohex-2-en-1-one
3-{2-[6-hydroxy-2,5-bis(hydroxymethyl)-2-methoxy-5,8a-dimethyl-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one
2,3-dimethoxy-5-methyl-6-[(2e)-3-methyl-12-sulfanyldodec-2-en-1-yl]pyran-4-one
C21H34O4S (382.21776840000007)