Exact Mass: 372.2512
Exact Mass Matches: 372.2512
Found 500 metabolites which its exact mass value is equals to given mass value 372.2512,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Percorten
Deoxycorticosterone acetate (DOCA) is an adrenocortin, acts as a precursor to aldosterone. Deoxycorticosterone acetate is a mineralocorticoid receptor agonist. Deoxycorticosterone acetate can cause severe renal injury, including inflammation, fibrosis, glomerular damage, and proteinuria[1][2].
8,8a-Deoxyoleandolide
8,8a-Deoxyoleandolide is a naturally occurring sesquiterpene lactone, which is a type of organic compound derived from the metabolism of plants. It is characterized by the absence of an oxygen atom at the 8 and 8a positions in its molecular structure, which differentiates it from the related compound oleandolide. Sesquiterpene lactones are known for their biological activities, such as cytotoxic, anti-inflammatory, and antimicrobial properties. 8,8a-Deoxyoleandolide may be found in various plant species and could be of interest for pharmaceutical research due to its potential therapeutic effects. The compound's structure typically includes a lactone ring fused with a sesquiterpene framework, and it may exhibit various substituents depending on its source and the specific plant it is derived from. 13-Deethyl-6,12-dideoxy-13-methylerythronolide A. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=53428-54-9 (retrieved 2024-07-15) (CAS RN: 53428-54-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Gentian Violet
Gentian Violet is only found in individuals that have used or taken this drug. It is a dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties. [PubChem]In aqueous solutions Gentian violet (GV) dissociates into positive (GV+)and negative ions (Cl-) that penetrate through the wall and membrane of both gram-positive and gram-negative bacterial cells. The GV+ interacts with negatively charged components of bacterial cells including the lipopolysaccharide (on the cell wall), the peptidoglycan and DNA. A similar cell penetration and DNA binding process is thought to take place for fungal cells as well. Because Gentian violet is a mutagen and mitotic poison, cell growth is consequently inhibited. A photodynamic action of gentian violet, apparently mediated by a free-radical mechanism, has recently been described in bacteria and in the protozoan T. cruzi. Evidence also suggests that gentian violet dissipates the bacterial (and mitochondrial) membrane potential by inducing permeability. This is followed by respiratory inhibition. This anti-mitochondrial activity might explain gentian violets efficacy towards both bacteria and yeast with relatively mild effects on mammalian cells.
5-Ethoxysorgoleone 358
5-Ethoxysorgoleone 358 is found in cereals and cereal products. 5-Ethoxysorgoleone 358 is a constituent of Sorghum bicolor (sorghum). Constituent of Sorghum bicolor (sorghum). 5-Ethoxysorgoleone 358 is found in cereals and cereal products.
(3R, 6'Z)-3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benzopyran-1-one
(3R, 6Z)-3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benzopyran-1-one is found in fats and oils. (3R, 6Z)-3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benzopyran-1-one is a constituent of the fruit of Ginkgo biloba (ginkgo). Constituent of the fruit of Ginkgo biloba (ginkgo). (3R, 6Z)-3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benzopyran-1-one is found in fats and oils and herbs and spices.
Scutigeral
Scutigeral is found in mushrooms. Scutigeral is a constituent of Albatrellus ovinus Constituent of Albatrellus ovinus. Scutigeral is found in mushrooms.
Nabilone
Nabilone is a synthetic cannabinoid with therapeutic use as an antiemetic and as an adjunct analgesic for neuropathic pain. It is a synthetic cannabinoid, which mimics the main ingredient of marijuana (THC) but it has more predictable side effects and causes no or minimal euphoria. Nabilone is not derived from the cannabis plant as is dronabinol. In Canada, the United States, the United Kingdom and Mexico, nabilone is marketed as Cesamet. It was approved in 1985 by the United States FDA for treatment of chemotherapy-induced nausea and vomiting that has not responded to conventional antiemetics. Though it was approved by the FDA in 1985, the drug only began marketing in the United States in 2006. It is also approved for use in treatment of anorexia and weight loss in patients with AIDS. Although it doesnt have the official indication (except in Mexico), nabilone is widely used as an adjunct therapy for chronic pain management. Numerous trials and case studies have demonstrate various benefits for condition such as fibromyalgia and multiple scerosis. Nabilone is a racemate consisting of the (S,S) and the (R,R) isomers (trans). A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
9'-Carboxy-gamma-tocotrienol
9-carboxy-r-tocotrienol is a dehydrogenation carboxylate product of 9-hydroxy-r-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. Gamma-tocotrienol targets cancer cells by inhibiting Id1, a key cancer-promoting protein. Gamma-tocotrienol was shown to trigger cell apoptosis and well as anti-proliferation of cancer cells. This mechanism was also observed in separate prostate cancer and melanoma cell line studies. 9-carboxy-r-tocotrienol is a dehydrogenation carboxylate product of 9-hydroxy-r-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
Cervonoyl ethanolamide
Cervonoyl ethanolamide is a N-acylethanolamine. N-acylethanolamines (NAEs) constitute a class of lipid compounds naturally present in both animal and plant membranes as constituents of the membrane-bound phospholipid, N-acylphosphatidylethanolamine (NAPE). NAPE is composed of a third fatty acid moiety linked to the amino head group of the commonly occurring membrane phospholipid, phosphatidylethanolamine. NAEs are released from NAPE by phospholipase D-type hydrolases in response to a variety of stimuli. Transient NAE release and accumulation has been attributed a variety of biological activities, including neurotransmission, membrane protection, and immunomodulation in animals. N-oleoylethanolamine is an inhibitor of the sphingolipid signaling pathway, via specific ceramidase inhibition (ceramidase converts ceramide to sphingosine). N-oleoylethanolamine blocks the effects of TNF- and arachidonic acid on intracellular Ca concentration. (PMID: 12692337, 12056855, 12560208, 11997249) [HMDB] Cervonoyl ethanolamide is a N-acylethanolamine. N-acylethanolamines (NAEs) constitute a class of lipid compounds naturally present in both animal and plant membranes as constituents of the membrane-bound phospholipid, N-acylphosphatidylethanolamine (NAPE). NAPE is composed of a third fatty acid moiety linked to the amino head group of the commonly occurring membrane phospholipid, phosphatidylethanolamine. NAEs are released from NAPE by phospholipase D-type hydrolases in response to a variety of stimuli. Transient NAE release and accumulation has been attributed a variety of biological activities, including neurotransmission, membrane protection, and immunomodulation in animals. N-oleoylethanolamine is an inhibitor of the sphingolipid signaling pathway, via specific ceramidase inhibition (ceramidase converts ceramide to sphingosine). N-oleoylethanolamine blocks the effects of TNF- and arachidonic acid on intracellular Ca concentration. (PMID: 12692337, 12056855, 12560208, 11997249).
Neriantogenin
Neriantogenin is a hydrolysis produced from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the US Hydrolysis production from Convallaria majalis. Convallaria majalis is banned by the FDA from food use in the USA.
17alpha-Acetoxyprogesterone
Deoxycorticosterone acetate
D000893 - Anti-Inflammatory Agents
Norgestomet
Prorenoate
[(8S,9S,13S,14S,17R)-3,17-Dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-yl] pentanoate
14-Hydroxy-12,13-dihydrosesquiterpineol-14-O-xylopyranoside
[1R-(1alpha,4alpha,4aalpha,5alpha,6alpha,8abeta)]-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4-epoxynaphthalen-5-yl ester 4-methoxybenzoic acid
metachromin T
A sesquiterpenoid that is 6,8-dimethoxy-2,2-dimethyl-2H-chromen-5-ol in which the hydrogen of one of the methyl groups at position 2 is replaced by a [(1R,2S)-1,2,3-trimethylcyclohex-3-en-1-yl]methyl group. It is isolated from an Okinawan sponge Spongia sp.SS-1037 and shows moderate cytotoxicity against L1210 murine leukemia and KB human epidermoid carcinoma cells.
3,6-Dihydroxy-2-(1-oxo-11-phenylundecyl)-3-cyclohexen-1-one
3-oxo-uzarigenin|Odorigenon-B|odorigenone-B|uzarigenone
3beta,11alpha-Dihydroxy-5beta-carda-14,20(22)-dienolid|3beta,11alpha-dihydroxy-5beta-carda-14,20(22)-dienolide
4-Ac-6-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1,2,4-benzenetriol
(4E,8E)-1-(2,4-dihydroxyphenyl)-2-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-one|1-(2,4-dihydroxyphenyl)-2-hydroxy-5,9,13-trimethyl-4(E),8(E),12-tetradecatrien-1-one
3beta,5-Dihydroxy-5beta-carda-14,20(22)-dienolid|3beta,5-dihydroxy-5beta-carda-14,20(22)-dienolide|3beta,5beta-dihydroxy-14-en-card-20(22)-enolide
Methyl 3-hydroxy-9-oxo-9,10-seco-23,24-dinor-1,3,5(10)-cholatrien-22-oate
4-O-(3,7-Dimethyl-2,6-octadienyl)---6-Demethylacronylin
(4R,6R,10R,12R)-4,10-dihydroxy-2,8-dioxo-6,12-dipentyl-1,7-dioxacyclododecane|4R,6R,10R,12R,4,10-Dihydroxy-2,8-dioxo-6,12-dipentyl-1,7-dioxacyclododecane|Verbalactone
14-deoxy-15-isopropylidene-11,12-didehydroandrographolide
20alpha-Acetoxypregn-4-en-3,16-dion|20S-acetyloxy-4-pregnen-3,16-dione|20S-acetyloxy-4-pregnene-3,16-dione
2-[(9Z,12Z)-heptadeca-9,12-dienyl]-6-hydroxybenzoic acid
3beta-acetoxypregn-20-en-19-oic acid|sclerosteroid D
3-((E)-4-hydroxy-3,7-dimethyl-octa-2,6-dienyl)-4-methoxy-5-(3-methyl-but-2-enyl)-benzoic acid
(6E,10E)-12-(2,5-dimethoxy-3-methylphenyl)-6,10-dimethyldodeca-6,10-dien-2,8-dione|cystoazorone A
16alpha,17-Epoxy-3xi-hydroxy-5xi,14xi-card-20(22)-enolid|16alpha,17-epoxy-3xi-hydroxy-5xi,14xi-card-20(22)-enolide
4-Hydroxy-2-(11-phenylundecanoyl)-1,3-cyclohexanedione|4-hydroxy-2-(11-phenylundecanoyl)cyclohexane-1,3-dione
11,12-dimethoxy-abieta-6,8,11,13-tetraen-20-oic acid methyl ester|11,12-dimethoxyabieta-6,8,11,13-tetraen-20-oic acid methyl ester|6,7-didehydrocarnosic acid methyl ester dimethylether|Methyl 11,12-di-O-methyl-6,7-didehydrocarnosate
[1R-(1alpha,4alpha,4aalpha,5alpha,6alpha,8abeta)]-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4-epoxynaphthalen-5-yl ester 4-methoxybenzoic acid
Ginkgolic acid 17:2
(E/Z)-Ginkgolic acid C17:2, isolated from Ginkgo biloba, can bind with human dihydroorotate dehydrogenase (DHODH) tightly[1].
Crystal Violet
[Raw Data] CB146_Crystal-violet_pos_50eV_CB000055.txt [Raw Data] CB146_Crystal-violet_pos_40eV_CB000055.txt [Raw Data] CB146_Crystal-violet_pos_30eV_CB000055.txt [Raw Data] CB146_Crystal-violet_pos_20eV_CB000055.txt [Raw Data] CB146_Crystal-violet_pos_10eV_CB000055.txt
11α-Acetoxyprogesterone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.305 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.306
2,4-dihydroxy-6-(hydroxymethyl)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde
C23H32O4_Carda-5,20(22)-dienolide, 3,14-dihydroxy-, (3beta,9xi)
TXB1
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0155.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0155.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0155.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001325.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001325.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001325.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001325.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001325.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001325.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
Deoxycorticosterone acetate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D008901 - Mineralocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid Deoxycorticosterone acetate (DOCA) is an adrenocortin, acts as a precursor to aldosterone. Deoxycorticosterone acetate is a mineralocorticoid receptor agonist. Deoxycorticosterone acetate can cause severe renal injury, including inflammation, fibrosis, glomerular damage, and proteinuria[1][2].
Deoxycorticosterone
Deoxycorticosterone acetate (DOCA) is an adrenocortin, acts as a precursor to aldosterone. Deoxycorticosterone acetate is a mineralocorticoid receptor agonist. Deoxycorticosterone acetate can cause severe renal injury, including inflammation, fibrosis, glomerular damage, and proteinuria[1][2].
(R)-4-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(7R,9S,10R,13R,14S,17R)-7-hydroxy-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
Ala Ala Ile Val
Ala Ala Leu Val
Ala Ala Val Ile
Ala Ala Val Leu
Ala Gly Ile Ile
Ala Gly Ile Leu
Ala Gly Leu Ile
Ala Gly Leu Leu
Ala Ile Ala Val
Ala Ile Gly Ile
Ala Ile Gly Leu
Ala Ile Ile Gly
Ala Ile Leu Gly
Ala Ile Val Ala
Ala Leu Ala Val
Ala Leu Gly Ile
Ala Leu Gly Leu
Ala Leu Ile Gly
Ala Leu Leu Gly
Ala Leu Val Ala
Ala Val Ala Ile
Ala Val Ala Leu
Ala Val Ile Ala
Ala Val Leu Ala
Gly Ala Ile Ile
Gly Ala Ile Leu
Gly Ala Leu Ile
Gly Ala Leu Leu
Gly Ile Ala Ile
Gly Ile Ala Leu
Gly Ile Ile Ala
Gly Ile Leu Ala
Gly Leu Ala Ile
Gly Leu Ala Leu
Gly Leu Ile Ala
Gly Leu Leu Ala
Gly Val Val Val
Ile Ala Ala Val
Ile Ala Gly Ile
Ile Ala Gly Leu
Ile Ala Ile Gly
Ile Ala Leu Gly
Ile Ala Val Ala
Ile Gly Ala Ile
Ile Gly Ala Leu
Ile Gly Ile Ala
Ile Gly Leu Ala
Ile Ile Ala Gly
Ile Ile Gly Ala
Ile Leu Ala Gly
Ile Leu Gly Ala
Ile Val Ala Ala
Leu Ala Ala Val
Leu Ala Gly Ile
Leu Ala Gly Leu
Leu Ala Ile Gly
Leu Ala Leu Gly
Leu Ala Val Ala
Leu Gly Ala Ile
Leu Gly Ala Leu
Leu Gly Ile Ala
Leu Gly Leu Ala
Leu Ile Ala Gly
Leu Ile Gly Ala
Leu Leu Ala Gly
Leu Leu Gly Ala
Leu Val Ala Ala
Val Ala Ala Ile
Val Ala Ala Leu
Val Ala Ile Ala
Val Ala Leu Ala
Val Gly Val Val
Val Ile Ala Ala
Val Leu Ala Ala
Val Val Gly Val
Val Val Val Gly
(5Z,7E)-(3S)-3-hydroxy-9,10-seco-5,7,10(19)-cholatrien-24-oic acid
3-oxochol-4-en-24-oic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Nabilone
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
Scutigeral
Neriantogenin
5-Ethoxysorgoleone 358
8-hydroxy-3-[(6E)-pentadec-6-en-1-yl]-3,4-dihydro-1H-2-benzopyran-1-one
ascr#23
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,13R)-13-hydroxytetradec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
oscr#23
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-14-hydroxytetradec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
ST 24:3;O3
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Polycerasoidin
(S)-α-Azidobenzenepropanoic acid (dicyclohexylammonium) salt
(1R,3R,4S)-4-((TERT-BUTYLDIMETHYLSILYL)OXY)-3-(((TERT-BUTYLDIMETHYLSILYL)OXY)METHYL)-2-METHYLENECYCLOPENTANOL
tert-butyl 4-(3,3-diethyl-2-oxoindol-1-yl)piperidine-1-carboxylate
1-(1-ethynylcyclohexyl)oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
Norgestomet
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
(3aR,4S,5R,6aS)-4-((tert-butyldimethylsilyloxy)methyl)-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-ol
5-HYDROXYINDOLE-3-ACETIC ACID DICYCLOHEXYLAMMONIUM SALT
1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics
(2E,13R)-13-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tetradec-2-enoic acid
(2E)-14-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tetradec-2-enoic acid
Anagestone acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
2,4-Dihydroxy-6-methyl-3-((2E)-3-methyl-5-((1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl)-2-penten-1-yl)benzaldehyde
(6aS,9R,10R,10aS)-9-ethenyl-10-isocyano-6,6,9-trimethyl-1-(2-methylbut-3-en-2-yl)-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethylazanium
[3-carboxy-2-[(E)-11-carboxyundec-9-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-11-carboxyundec-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-11-carboxyundec-7-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-11-carboxyundec-8-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-11-carboxyundec-6-enoyl]oxypropyl]-trimethylazanium
acetic acid [(3S,5S,10S,13S)-17-acetyl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
(3beta,9xi)-3,14-Dihydroxycarda-5,20(22)-dienolide
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate
6-(Dimethylamino)-2-{4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-1-ethylquinolinium
2,4-Dihydroxy-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-6-(hydroxymethyl)benzaldehyde
(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
(4R)-1-Acetoxy-4-(tert-butyldimethylsilyloxy)-5-pivaloyloxyhexene
Ethyl (4R*,5R*)-(E)-4-(2-tetrahydropyranyl)oxy-5-(tert-butyldimethylsilyl)oxy-2-hexenoate
(20S,22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid
3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid
3alpha-Hydroxy-5beta-chola-8(14),11-dien-24-oic Acid
(22E)-3beta-Hydroxy-5alpha-chola-7,22-dien-24-oic Acid
ambiguine H
An ambiguine which is a (6aS,9R,10R,10aS)-9-ethenyl-10-isocyano-6,6,9-trimethyl-1-(2-methylbut-3-en-2-yl) substituted derivative of 2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole. An antimicrobial agent isolated from the cyanobacterium strain, Fischerella.
1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-yl acetate
methyl (4as,6ar,11ar,11bs)-9,10-dihydroxy-4,4,6a,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,11h,11ah-cyclohexa[a]fluorene-7-carboxylate
[(4as,4bs,6ar,10as,10bs,12as)-4b,7,7,10a-tetramethyl-3-oxo-4,4a,5,6,6a,8,9,10,10b,11,12,12a-dodecahydrochrysen-2-yl]acetic acid
2-(heptadeca-8,11-dien-1-yl)-6-hydroxybenzoic acid
2-[2-(1,3-dimethyl-2-methylidenecyclohexyl)ethyl]-6,8-dimethoxy-2-methylchromen-5-ol
(6r,11s)-11-isopropyl-3-methoxy-2,4,4-trimethyl-8-(4-methylpent-3-en-1-yl)spiro[5.5]undeca-2,8-diene-1,5-dione
(2r,3s,4s,7r)-4-ethenyl-3-isocyano-4,8,8-trimethyl-15-(2-methylbut-3-en-2-yl)-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),9(16),10,12-tetraene
(1'r,4r,5's)-4,5'-diisopropyl-7-methoxy-6,6,8-trimethyl-3,4-dihydrospiro[1-benzopyran-2,2'-bicyclo[3.1.0]hexan]-5-one
(3r,5s)-5-(methoxymethyl)-3-[(13z)-octadec-13-en-9,11-diyn-1-yl]oxolan-2-one
2,4-dihydroxy-6-methyl-3-[(6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzoic acid
methyl 3-[(1,2,4a-trimethyl-5-methylidene-hexahydro-2h-naphthalen-1-yl)methyl]-4,5-dihydroxybenzoate
methyl 3-{[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylidene-hexahydro-2h-naphthalen-1-yl]methyl}-4,5-dihydroxybenzoate
2,4-dihydroxy-6-methyl-3-[(2e)-3-methyl-5-[(1s,2s,6r)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-en-1-yl]benzaldehyde
3-{[(1s,4ar)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methoxy}-3-oxopropanoic acid
4-[(1s,3ar,3bs,7r,9as,11as)-3a,7-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
1-{9a,11a-dimethyl-2,7-dioxo-1h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}ethyl acetate
9b-hydroxy-6,6,9a-trimethyl-1h,3h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl octa-2,4,6-trienoate
2-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxy-6-(3-methylbut-2-en-1-yl)phenyl acetate
(1'r,2r,4s,5's)-4-isopropyl-7-methoxy-6,6',6',8,8-pentamethyl-3,4-dihydrospiro[1-benzopyran-2,2'-bicyclo[3.1.1]heptan]-5-one
(2r,3r,4r,7s)-4-ethenyl-4,8,8-trimethyl-15-(2-methylbut-3-en-2-yl)-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),9(16),10,12-tetraene-3-carbonitrile
8-heptyl-8-methoxy-6a-methyl-3-(prop-1-en-1-yl)-9h,9ah-furo[2,3-h]isochromen-6-one
7-hydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydro-1h-cyclopenta[a]phenanthrene-9a-carbaldehyde
1-(2-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-4,6-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl)ethanone
3-[(7r,8r)-2,2,7,8-tetramethyl-6h,7h,8h-pyrano[3,2-g]chromen-10-yl]heptanoic acid
methyl 3-{[(1s,2r,4ar,8ar)-1,2,4a-trimethyl-5-methylidene-hexahydro-2h-naphthalen-1-yl]methyl}-4,5-dihydroxybenzoate
4,6-dihydroxy-2-methyl-3-{[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}benzaldehyde
(1r,3r,4s,4as,8ar)-4-hydroxy-3-isopropyl-8a-methyl-5-methylidene-octahydronaphthalen-1-yl 4-methoxybenzoate
(1r,2s,3s,4r,4as,8as)-3,4a,8,8-tetramethyl-4-[(1e,3s,4s)-3,4,5-trihydroxy-3-methylpent-1-en-1-yl]-hexahydro-1h-naphthalene-1,2,3-triol
5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentylchromen-8-yl acetate
(1'r,2r,4s,5's)-4,5'-diisopropyl-7-methoxy-6,6,8-trimethyl-3,4-dihydrospiro[1-benzopyran-2,2'-bicyclo[3.1.0]hexan]-5-one
4-ethenyl-3-isocyano-4,8,8-trimethyl-15-(2-methylbut-3-en-2-yl)-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),9(16),10,12-tetraene
14-deoxy-15-isopropylidene-11,12-didehydro-andrographolide
{"Ingredient_id": "HBIN001412","Ingredient_name": "14-deoxy-15-isopropylidene-11,12-didehydro-andrographolide","Alias": "NA","Ingredient_formula": "C23H32O4","Ingredient_Smile": "CC(=C1C=C(C(=O)O1)C=CC2C(=C)CCC3C2(CCC(C3(C)CO)O)C)C","Ingredient_weight": "372.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14999","TCMID_id": "5182","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "637300","DrugBank_id": "NA"}
4,4'-dihydroxy dibenzyl ether
{"Ingredient_id": "HBIN009937","Ingredient_name": "4,4'-dihydroxy dibenzyl ether","Alias": "NA","Ingredient_formula": "C23H32O4","Ingredient_Smile": "CC(C)(C)C1=CC(=C(C=C1)O)COCC2=CC(=CC(=C2O)CO)C(C)(C)C","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "24004","TCMSP_id": "NA","TCM_ID_id": "7930","PubChem_id": "NA","DrugBank_id": "NA"}
