Exact Mass: 382.2178
Exact Mass Matches: 382.2178
Found 500 metabolites which its exact mass value is equals to given mass value 382.2178
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pyrvinium
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
Cinncassiol C3
Cinncassiol C3 is found in herbs and spices. Cinncassiol C3 is a constituent of cinnamoni cortex, the dried bark of Cinnamomum cassia (Chinese cinnamon). Constituent of cinnamoni cortex, the dried bark of Cinnamomum cassia (Chinese cinnamon). Cinncassiol C3 is found in herbs and spices.
T2 Triol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins T2 Triol is a mycotoxin from Fusarium sporotrichiell Mycotoxin from Fusarium sporotrichiella
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).
1-tetradecanoyl-sn-glycero-3-phosphate
1-tetradecanoyl-sn-glycero-3-phosphate is also known as 1-Myristoyl lysophosphatidic acid or (2R)-2-Hydroxy-3-(phosphonooxy)propyl myristate. 1-tetradecanoyl-sn-glycero-3-phosphate is considered to be practically insoluble (in water) and acidic. 1-tetradecanoyl-sn-glycero-3-phosphate is a glycerophosphate lipid molecule
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.
(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)
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).
Cinncassiol A
Cinncassiol A is found in herbs and spices. Cinncassiol A is a constituent of Cinnamomum cassia (Chinese cinnamon) Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol A is found in herbs and spices.
12-Oxo-20-trihydroxy-leukotriene B4
12-Oxo-20-trihydroxy-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region, and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by omega-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the omega-carboxy position and after CoA ester formation (PMID: 7649996, 17623009, 2853166, 6088485). Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 12-Oxo-20-trihydroxy-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 7649996, 17623009, 2853166, 6088485)
LysoPA(i-14:0/0:0)
LysoPA(i-14:0/0:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. LysoPA(i-14:0/0:0), in particular, consists of one chain of isotetradecanoic acid at the C-1 position. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes.
serofendic acid
Tetramethylchromanol glucoside
Viguilenin
An organic heterocricyclic compound and germacranolide with formula C20H30O7 isolated from Viguiera linearis.
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
1alphaH,7alphaH,8alphaH,10betaH-2alpha-Tigloyloxy-4beta,11alpha,13-trihydroxy-pseudoguaian-8,12-olide
[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
Tirotundifolin E
(1-((1-Methylpiperidin-2-yl)methyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone
(Z)-3,8-Dihydro-6,6;7,3??-diligustilide|3,8-Dihydro-6,6:7,3a-diliguetilide
(+)-protopraesorediosic acid|(2R,3S)-Protopraesorediosic acid
1-Acetoxyprotolichesteric acid|13-acetoxyprotolichesterinic acid
3beta-(2-methylbutyryloxy)-8beta,10beta-dihydroxy-6beta-methoxyeremophilenolide
6beta,9beta-dihydroxypulchellin-2-O-<2-methylbutyrate>|Pulchelloid B
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
3beta-hydroxy-6beta-cynnamoyloxy-eudesm-4-en-1-one
5-O-(3-carboxypropionyl)-4-oxo-4,6,7,8,9,10,11,12,13,14,16-undecadeoxy-D-glycero-D-glycero-(E)-2-hexadecenono-1,15-lactone|Antibiotic A26771B
3-carboxy-5-(carboxymethyl)-4-tetradecyl-1-oxacyclopent-3-en-2-one
4alpha-hydroxy-3alpha-(2-methyl-2,3-epoxybutyryloxy)-11-hydroperoxy-eudesm-6-en-8-one
cleroda-1-one-2-en-11beta,15,16,18-tetraol-12, 19-olide|tinosporaclerodanoid
(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
(1S,4S,5S,6R,7S,10S,11R)-1,4-dihydroxy-2-oxo-5-angeloxyxanthan-6,12-olide
8alpha-methoxyl-14-deoxy-17beta-hydroxyandrographolide
2alpha-(2-methylbutyryloxy)-dugaldiolide|2alpha-<2-methylbutyryloxy>-dugaldiolide
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
(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
6beta,11alpha,15alpha,16beta-tetrahydroxy-6alpha,20-epoxy-6,7-seco-entkaur-1alpha,7-olide|sculponin Q
2,3-dihydro-7-hydroxy-2R*,3R*-dimethyl-3-[4,8-dimethyl-3(E),7-nonadienyl]-furo[3,2-c]coumarin
17-hydroxy-3,20-dimethyl-yohimbane-16-carboxylic acid methyl ester
3beta,5beta,6beta,14beta,16alpha-pentahydroxy-2beta-methoxygrayan-10(20)-ene|rhodomolin A
(3aR,3bR,4R,5S,7aS,8R,8aR)-1,3a,3b,4,5,6,7,7a,8,8a-decahydro-3a,3b,7a,8a-tetrahydroxy-2-[(2S)-1-hydroxypropan-2-yl]-3,5,8-trimethyl-4,8-(epoxyethano)cyclopenta[a]inden-10-one|cinnacasol
1beta,3alpha,17alpha,20beta,21-Pentahydroxy-5beta-pregnan-11-on
1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate
7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one
7-[[(1R,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate
O-(3-Hydroxy-7-drimen-11-yl)umbelliferone
Origin: Plant, Coumarins, Coumarin terpenoids, Sesquiterpenoids, Ferula terpenoids
7-[[(1R,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848159]
7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one [IIN-based on: CCMSLIB00000845968]
(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]
7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [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]
7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based: Match]
7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848158]
7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848947]
7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one [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_major
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one_major
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one_56.3\\%
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
Mogoltadin
Farnesiferol C
Assafoetidin
(3'alpha,5'alpha,9'xi,10'beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone
17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate
TRANS,TRANS-3,4,5-TRIFLUOROPHENYL 4-PROPYLBICYCLOHEXYL-4-CARBOXYLATE
Bis[2-(3,4-epoxycyclohexyl)ethyl] tetramethyldisiloxane
1-(4-METHOXYBENZYL)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA
((4-((4-ETHYNYLPHENYL)ETHYNYL)PHENYL)ETHYNYL)TRIISOPROPYLSILANE
1-Ethoxy-2,3-difluoro-4-[[4-(trans-4-propylcyclohexyl)phenyl]ethynyl]benzene
4-(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)propoxy)-3-fluorophenylboronic acid
trans-4-Propylcyclohexanecarboxylic acid 2,3-dicyano-4-(pentyloxy)phenyl ester
7-[[(1R,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-1-benzopyran-2-one
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-
6-(4-methyl-1-piperazinyl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
(1S,2S,4R,8S,9R,11S,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.0(4,8)]tetradecan-9-yl 2-methylbutanoate
(R)-(1-((1-Methylpiperidin-2-yl)methyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone
2-(Hydroxymethyl)-6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl]oxane-3,4,5-triol
Ala-Val-Pro-Pro
A tetrapeptide composed of L-alanine, L-valine, and two L-proline units joined in sequence by peptide linkages.
4-[[(1R,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
2-Cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid hexyl ester
Cyclohexyl-[4-(4-nitro-2-pyrrol-1-ylphenyl)piperazin-1-yl]methanone
(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.
3,4,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
2-[[5-(Ethoxymethyl)-2-methyl-4-pyrimidinyl]amino]-1-(5-methoxy-1,2-dimethyl-3-indolyl)ethanone
N-(2-hydroxypropyl)-1-[(4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxamide
(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
N-[[(2S,3R,4R)-1-(cyclopropylmethyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-fluoro-N-methylbenzamide
[(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
(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
N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylcyclobutanecarboxamide
N-(cyclobutylmethyl)-4-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
N-(cyclobutylmethyl)-4-fluoro-N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
N-[[(2R,3S,4S)-1-(cyclopropylmethyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-fluoro-N-methylbenzamide
2-cyclopropyl-N-[[(2S,3S,4R)-3-[4-(3-fluorophenyl)phenyl]-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
N-[2-(2-aminoethoxy)ethyl]-4-(2-hydroxy-4-phenylcyclohexyl)benzamide
(2-Acetamido-3-hydroxynonyl) 2-(trimethylazaniumyl)ethyl phosphate
[3-Hydroxy-2-(propanoylamino)octyl] 2-(trimethylazaniumyl)ethyl phosphate
2-(2-Ethoxyethyl)-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol benzoate
1-Myristoyl-sn-glycerol 3-phosphate
A 1-acyl-sn-glycerol 3-phosphate having myristoyl (tetradecanoyl) as the 1-O-acyl group.
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one
lysophosphatidic acid 14:0
A lysophosphatidic acid in which the acyl group (position not specified) contains 14 carbons and no double bonds.
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
7-(hept-1-en-1-yl)-1,12-dihydroxy-8-(hydroxymethyl)-11,11-dimethyl-3,5,10-trioxatricyclo[7.4.0.0²,⁶]tridec-7-en-4-one
4-hydroxy-3-[(2e,6e)-5-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]chromen-2-one
(1s,2s,5s,7r,8s,9s,10s,11r,12r,15r,18r)-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,15,18-pentol
1,4,11-trihydroxy-12-(1-hydroxybutan-2-yl)-10-(hydroxymethylidene)-4,6,8,11-tetramethyltricyclo[6.2.2.0²,⁷]dodecan-9-one
(1r,5r,6s,9s,10r,11r,15r)-9,10,11,15-tetrahydroxy-13-[(2s)-1-hydroxypropan-2-yl]-1,6,12-trimethyl-4-oxatetracyclo[7.6.0.0⁵,¹⁰.0¹¹,¹⁵]pentadec-12-en-3-one
(3r,3as,6s,7s,8s,8ar)-7-hydroxy-7-[(3r)-3-hydroxybutanoyl]-3,6-dimethyl-2-oxo-hexahydro-3h-cyclohepta[b]furan-8-yl (2z)-2-methylbut-2-enoate
4-[(16-methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid
4-hydroxy-3-[(2e,6e,10e)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]chromen-2-one
7-{[(1r,4as,6r,8as)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-one
6,6a,9-trihydroxy-3,6,9-trimethyl-2-oxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 3-methylbutanoate
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
7-{[(1r,4as,6r,8ar)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-one
4-{2-[5-hydroxy-2-(3-methylbut-2-en-1-yl)-3-[(3-methylbut-2-en-1-yl)oxy]phenyl]ethyl}benzene-1,2-diol
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
3-{[2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy}-5-methyl-4-(3-methylbut-2-en-1-yl)phenol
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
(1r,4s,5r,9r,10r,11s,13s,14s)-10,11,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
(1r,2s,4as,5s)-5-hydroxy-2-isopropyl-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-1-yl (2e)-3-phenylprop-2-enoate
7-{[(2e)-3-methyl-5-[(1r,2s,6s)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-en-1-yl]oxy}chromen-2-one
(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
(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,3s,6s,7r,9s,10s,11s,13r,14r)-6,9,11,13,14-pentahydroxy-11-isopropyl-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-2-one
(2s,3r)-2-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-7-hydroxy-2,3-dimethyl-3h-furo[2,3-b]chromen-4-one
7-{[(1s,6s,8ar)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}chromen-2-one
(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
[(5r,7s)-7-[(1e)-2-(1h-indol-5-yl)ethenyl]-5-(2-methylprop-1-en-1-yl)-1h,5h,6h-cyclopenta[f]indol-7-yl]methanol
7-{[(2e)-5-[(1s,5r)-5-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3-methylpent-2-en-1-yl]oxy}chromen-2-one
(2s)-2-hydroxy-4-methyl-2-[(2e,6e)-3,7,11-trimethyl-8-oxododeca-2,6,10-trien-1-yl]-1-benzofuran-3-one
(1s,2s,5s,7r,8r,9r,10s,11r,12r,15r,18r)-12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,15,18-pentol
(1s,2s,4s,9s,10r)-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 2-phenylacetate
(1r,2s,4r,8s,9r,11r,12s)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-9-yl (2s)-2-methylbutanoate
(1r,2s,4r,8s,9r,11r,12s)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-9-yl (2r)-2-methylbutanoate
2,3-dihydro-7-hydroxy-2r*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[3,2-c]coumarin
{"Ingredient_id": "HBIN004002","Ingredient_name": "2,3-dihydro-7-hydroxy-2r*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[3,2-c]coumarin","Alias": "NA","Ingredient_formula": "C24H30O4","Ingredient_Smile": "CC1C2=C(C3=C(C=C(C=C3)O)OC2=O)OC1(C)CCC=C(C)CCC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5627","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-dihydro-7-hydroxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[2,3-b]chromone
{"Ingredient_id": "HBIN004006","Ingredient_name": "2,3-dihydro-7-hydroxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[2,3-b]chromone","Alias": "NA","Ingredient_formula": "C24H30O4","Ingredient_Smile": "CC1C2=C(OC3=C(C2=O)C=CC(=C3)O)OC1(C)CCC=C(C)CCC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5626","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-dihydro-7-hydroxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[3,2-c]coumarin
{"Ingredient_id": "HBIN004007","Ingredient_name": "2,3-dihydro-7-hydroxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadienyl]-furo[3,2-c]coumarin","Alias": "NA","Ingredient_formula": "C24H30O4","Ingredient_Smile": "CC1C2=C(C3=C(C=C(C=C3)O)OC2=O)OC1(C)CCC=C(C)CCC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5628","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
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"}
adenostemmoic acid e
{"Ingredient_id": "HBIN014707","Ingredient_name": "adenostemmoic acid e","Alias": "NA","Ingredient_formula": "C20H30O7","Ingredient_Smile": "CC1(CCCC2(C1CCC34C2(C(CC(C3)C(C4=O)(CO)O)O)O)C)C(=O)O","Ingredient_weight": "382.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "24810","TCMSP_id": "NA","TCM_ID_id": "7150","PubChem_id": "23260144","DrugBank_id": "NA"}
α,α'-dihydro-3,5,3',4'-tetrahydroxy-4,5'-diiso-pentenylstilbene
{"Ingredient_id": "HBIN015346","Ingredient_name": "\u03b1,\u03b1'-dihydro-3,5,3',4'-tetrahydroxy-4,5'-diiso-pentenylstilbene","Alias": "NA","Ingredient_formula": "C24H30O4","Ingredient_Smile": "CC(=CCC1=C(C(=CC(=C1)CCC2=CC(=C(C(=C2)O)CC=C(C)C)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5724","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anhydrospiganthol
{"Ingredient_id": "HBIN016175","Ingredient_name": "anhydrospiganthol","Alias": "NA","Ingredient_formula": "C20H30O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1281","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
badrakemin
{"Ingredient_id": "HBIN017505","Ingredient_name": "badrakemin","Alias": "NA","Ingredient_formula": "C24H30O4","Ingredient_Smile": "CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2096","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}