Exact Mass: 420.2413
Exact Mass Matches: 420.2413
Found 500 metabolites which its exact mass value is equals to given mass value 420.2413
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Testosterone Phenylpropionate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Levocabastine
Levocabastine is only found in individuals that have used or taken this drug. It is a selective second-generation H1-receptor antagonist used for allergic conjunctivitis. Levocabastine was discovered at Janssen Pharmaceutica in 1979.Levocabastine is a potent, selective histamine H1-receptor antagonist. It works by competing with histamine for H1-receptor sites on effector cells. It thereby prevents, but does not reverse, responses mediated by histamine alone. Levocabastine does not block histamine release but, rather, prevents histamine binding and activity. Levocabastine also binds neurotensin 2 receptors and serves as a neurotensin agonist. This can induce some degree of analgesia. R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate
Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate is found in cereals and cereal products. Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate is a constituent of etiolated seedlings of Sorghum bicolor (sorghum)
CPA(18:0/0:0)
cPA(18:0/0:0) is a cyclic phosphatidic acid or cyclic lysophosphatidic acid. It is a glycerophospholipid in which a cyclic phosphate moiety occupies two glycerol substitution sites. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1). Fatty acids containing 16 and 18 carbons are the most common. Cyclic phosphatidic acids have been detected in a wide range of organisms including humans, especially in the brain but also in serum (at a concentration of 10-7M). cPAs have a cyclic phosphate at the sn-2 and sn-3 positions of the glycerol carbons, and this structure is absolutely necessary for their activities. In particular, it is found in tissues subject to injury, and while it may have some similar signalling functions to lysophosphatidic acid per se, it also has some quite distinct biological activities. For example, cyclic phosphatidic acid is known to be a specific inhibitor of DNA polymerase alpha. It has an appreciable effect on the inhibition of cancer cell invasion and metastasis. [HMDB] cPA(18:0/0:0) is a cyclic phosphatidic acid or cyclic lysophosphatidic acid. It is a glycerophospholipid in which a cyclic phosphate moiety occupies two glycerol substitution sites. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1). Fatty acids containing 16 and 18 carbons are the most common. Cyclic phosphatidic acids have been detected in a wide range of organisms including humans, especially in the brain but also in serum (at a concentration of 10-7M). cPAs have a cyclic phosphate at the sn-2 and sn-3 positions of the glycerol carbons, and this structure is absolutely necessary for their activities. In particular, it is found in tissues subject to injury, and while it may have some similar signalling functions to lysophosphatidic acid per se, it also has some quite distinct biological activities. For example, cyclic phosphatidic acid is known to be a specific inhibitor of DNA polymerase alpha. It has an appreciable effect on the inhibition of cancer cell invasion and metastasis.
(8alpha,10alpha,13alpha,17beta)-17-[(4-Hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid
Cabastine
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
DGAT-1 inhibitor 2
DGAT-1 inhibitor 2 is an effective inhibitor of DGAT-1;antiobesity agents. IC50 value: Target: DGAT-1 Acyl-CoA:diacylglycerol acyltransferase 1 (DGAT1) is one of two known DGAT enzymes that catalyze the final step in triglyceride synthesis. Findings from genetically modified mice as well as pharmacological studies suggest that inhibition of DGAT1 is a promising strategy for the treatment of obesity and type 2 diabetes.
Hexoprenaline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents
Testosterone phenylpropionate
8-(3-(1-((3-Fluorophenyl)methyl)-4-piperidinyl)-1-oxopropyl)-1,2,5,6-tetrahydro-4h-pyrrolo(3,2,1-ij)quinolin-4-one
8-[3-[1-[(3-Fluorophenyl)methyl]-4-piperidinyl]-1-oxopropyl]-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-4-one
Methyl ent-16-acetoxy-6,13E-labdadien-15,17-dioate
Butanoic acid,(2S,2aR,3R,5aR,6R,9S,9aS,9bS,12R)-decahydro-12-hydroxy-3,6,9-trimethyl-13-methylene-7-oxo-2,9-pentano-2H-furo[2,3,4-ef][3]benzoxepin-3-ylester
2beta,3alpha-Diacetoxy-11beta,14alpha-dihydroxy-1(15),8(19)-trinervitadiene
9alpha,14alpha-Diacetoxy-2beta,3alpha-dihydroxy-1(15),8(19)-trinervitadiene
(2Z,6E,10Z)-12-acetyloxy-10-(acetyloxymethyl)-6-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid
9,20-Di-Ac-(2beta,3alpha,9beta)-1(15),8(19)-Trinervitadiene-2,3,9,20-tetrol|9beta,20-diacetoxy-2beta,3alpha-dihydroxy-1(15),8(19)-trinervitadiene
12,13-Di-Ac-(1alpha,5beta,6beta,9alpha,12xi,13xi)-3,10,14-Prenylguaiatriene-6,9,12,13-tetrol
16,19-diacetoxy-ent-labda-8(17),13E-dien-15-oic acid
methyl 2alpha-abieta-11(12)-ene-9alpha,13alpha-endoperoxyl malonate
3-oxo-14,3-oxy-3(4->18)-abeo-brevia-1,4(18),12,2,4-pentaene 1,5-lactone|brevione C
16,17-Diacetoxy-16beta-(-)-kauran-19-saeure|16alpha,17-diacetoxy-ent-kauran-19-oic acid|19-Carboxylic acid,16,17-di-Ac-(ent-16betaOH)-16,17,19-Kauranetriol
casebalansin B|ent-2beta-hydroxy-3,4-dihydro-4alpha-isozuelanin|rel-(2R,4R,5S,8R,9R,10S,18R,19R)-18,19-diacetoxy-18,19-epoxycleroda-13(16),14-dien-2-ol
7alpha,17beta-dihydroxy-15,17-oxidospongian-16-one 7-butyrate|Aplyroseol 1
cadiyenol|methyl 5-[(E)-9-hydroxy-1-(1-hydroxyhexyl)-2-methoxyundeca-3,10-diene-5,7-diynyloxy]pentanoate
6,7-Di-Ac-6,7-Dihydroxy-3,13-clerodadien-15-oic acid
2-(10-acetyloxypentadec-8-enyl)-4,6-dihydroxybenzoic acid
15alpha,16beta-diacetoxy-15,16-epoxy-neo-cleroda-4(18),12Z-dien-14beta-ol
3-hydroxy-24-methyl-25-oxo-hexacosa-5,7,9,11,13,15,17,19,21,23-decaenoic acid|laetiporic acid
7??,18-Diacetoxy,9??,13??-epi-dioxiabiet-8(14)-ene
12,17-diacetoxy-15-hydroxy-2-oxo-3,13E(14)-diene-clerodane
(2E,4E)-cyclo-[(NMe-L-Ala)-(NMe-L-Val)-(Nalpha-6-oxohexa-2,4-dienoyl-L-Orn)]|sclerotiotide F
(2S,13Z)-2,5-diacetoxy-12-hydroxy-4,10-secospata-13(15),17-dien-10-one
6-Butanoyl 鈥樎?6alpha,17beta)-15,17-Epoxy-6,17-dihydroxy-16-spongianone|6alpha,17beta-dihydroxy-15,17-oxidospongian-16-one 6-butyrate
Ent-11E,13?鈥?15?鈥?16?鈥?form-15,16-Di-Ac-15,16-Epoxy-4(18),11-clerodadiene-13,15,16-triol
10alpha,14alpha-diacetoxy-7,8-epoxydolabella-3(E),18-dien-2alpha-ol
6beta,7beta-diacetoxy-15,16-epoxylabda-13(16),14-diene-9alpha-ol|lagopsin B
ent-3beta,19-diacetoxy-12beta,15alpha-dihydroxykaur-16-ene
15xi,16xi-diacetoxy-15,16-epoxy-neo-cleroda-4(18),11E-dien-13xi-ol
15,16-Diacetoxy-12,13-15,16-diepoxy-ent-clerod-3-ene|Di-Ac-(ent-12S,13R,15S,16R)-12.13:15,16-Diepoxy-3-clerodene-15,16-diol
2,5-Diacetoxy-3-tridecyl-6-methyl-1,4-benzoquinone
1alpha,6beta-diacetoxy-8,13-epoxy-labd-14-ene-11-one|coleolin
(1R*,3S*,4R*,6S*)-9-(Acetoxy)-4-acetoxy-1-[(2Z)-2-methylbut-2-enoyloxy]bisabol-2(3),10(11)-diene|(1R*,4S*,6R*)-4,9-bis(acetyloxy)-1-{[(2Z)-2-methylbut-2-enoyl]oxy}bisabol-2(3),10(11)-diene|(1R*,4S*,6R*)-4-(acetyloxy)-6-[3-(acetyloxy)-1,5-dimethylhex-4-enyl]-3-methylcyclohex-2-en-1-yl (2Z)-2-methylbut-2-enoate
(2Z,6E,10Z)-12-acetyloxy-10-(acetyloxymethyl)-6-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid_major
(2Z,6E,10Z)-12-acetyloxy-10-(acetyloxymethyl)-6-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid_minor
Ala Ala Phe Ile
Ala Ala Phe Leu
Ala Ala Ile Phe
Ala Ala Leu Phe
Ala Phe Ala Ile
Ala Phe Ala Leu
Ala Phe Ile Ala
Ala Phe Leu Ala
Ala Ile Ala Phe
Ala Ile Phe Ala
Ala Leu Ala Phe
Ala Leu Phe Ala
Phe Ala Ala Ile
Phe Ala Ala Leu
Phe Ala Ile Ala
Phe Ala Leu Ala
Phe Gly Val Val
Phe Ile Ala Ala
Phe Leu Ala Ala
Phe Val Gly Val
Phe Val Val Gly
Gly Phe Val Val
Gly Val Phe Val
Gly Val Val Phe
Ile Ala Ala Phe
Ile Ala Phe Ala
Ile Phe Ala Ala
Ile Ser Thr Thr
Ile Thr Ser Thr
Ile Thr Thr Ser
Leu Ala Ala Phe
Leu Ala Phe Ala
Leu Phe Ala Ala
Leu Ser Thr Thr
Leu Thr Ser Thr
Leu Thr Thr Ser
Ser Ile Thr Thr
Ser Leu Thr Thr
Ser Thr Ile Thr
Ser Thr Leu Thr
Ser Thr Thr Ile
Ser Thr Thr Leu
Thr Ile Ser Thr
Thr Ile Thr Ser
Thr Leu Ser Thr
Thr Leu Thr Ser
Thr Ser Ile Thr
Thr Ser Leu Thr
Thr Ser Thr Ile
Thr Ser Thr Leu
Thr Thr Ile Ser
Thr Thr Leu Ser
Thr Thr Ser Ile
Thr Thr Ser Leu
Thr Thr Thr Val
Thr Thr Val Thr
Thr Val Thr Thr
Val Phe Gly Val
Val Phe Val Gly
Val Gly Phe Val
Val Gly Val Phe
Val Thr Thr Thr
Val Val Phe Gly
Val Val Gly Phe
Cabastine
R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate
17-Oxo-6,9,12-trioxa-2,16-diazaeicosanedioic acid 1-(1,1-dimethylethyl)ester
tert-Butyl 4-(2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylat95
sodium 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl sulphate
Pipebuzone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1-BOC-4-(2-CBZ-AMINO-2-METHOXYCARBONYL-ETHYL)PIPERIDINE
Ralimetinib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
13-cis-12-(3-Carboxyphenyl)retinoic acid
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
(8alpha,10alpha,13alpha,17beta)-17-[(4-Hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid
Vascor
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Hexoprenaline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents
12-Acetyloxy-10-(acetyloxymethyl)-6-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid
tert-butyl 4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine-1-carboxylate
1-Oleylglycerone 3-phosphate
A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as oleyl
(3E,5E,7E,10R,12R,13E,17R,18S,22S)-22-ethyl-10,12,18-trihydroxy-17-methyl-1-oxacyclodocosa-3,5,7,13-tetraene-2,16-dione
(2R)-2-hydroxy-3-{[(1Z)-octadec-1-en-1-yl]oxy}propyl phosphate
Cadiyenol
An acetylenic compound that is (8E)-heptadeca-1,8-diene-4,6-diyne substituted by hydroxy group at positions 6 and 15, a methoxy group at position 8 and a (5-methoxy-5-oxopentyl)oxy group at position 7. Isolated from Centella asiatica, it exhibits antineoplastic activity.
1-[1-[1-(1,3-Benzodioxol-5-ylmethyl)-5-tetrazolyl]-2-methylpropyl]-4-phenylpiperazine
N-benzyl-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]aniline hydrochloride--water (1/1)
1-[3-(dimethylamino)propyl]-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)urea
[(3aS,4S,9bS)-4-(hydroxymethyl)-8-(2-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone
[(3aR,4S,9bR)-4-(hydroxymethyl)-8-(2-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone
2-[(2S,3R,6S)-3-[[(4-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
2-[(2S,3S,6R)-3-[[(4-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
(4S,7S)-4-[(4-methoxyphenyl)methyl]-7-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(5S,8S)-8-[(4-methoxyphenyl)methyl]-5-(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(5S,8R)-8-[(4-methoxyphenyl)methyl]-5-(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
[(1R,2aR,8bR)-1-(hydroxymethyl)-2-[(2-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclohexylmethanone
1-[(1R)-1-(hydroxymethyl)-7-methoxy-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4-piperidine]yl]-2-(3-pyridinyl)ethanone
N-(2-hydroxyphenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]octanediamide
2-[(2S,3R,6R)-3-[[(4-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
2-[(2R,3S,6S)-3-[[(4-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
2-[(2R,3S,6R)-3-[[(4-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
2-[(2R,3R,6S)-3-[[(4-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
2-[(2S,3S,6S)-3-[[(4-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
2-[(2R,3R,6R)-3-[[(4-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
(4R,7S)-4-[(4-methoxyphenyl)methyl]-7-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(5R,8S)-8-[(4-methoxyphenyl)methyl]-5-(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(5R,8R)-8-[(4-methoxyphenyl)methyl]-5-(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
[(1S,2aR,8bR)-1-(hydroxymethyl)-2-[(2-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclohexylmethanone
[(1R,2aS,8bS)-1-(hydroxymethyl)-2-[(2-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclohexylmethanone
[(1S,2aS,8bS)-1-(hydroxymethyl)-2-[(2-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclohexylmethanone
[(3aS,4S,9bS)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone
1,7-Bis(3,5-diethyl-4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
(6aS,6bS,8aS,11R,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
(2-hydroxy-3-phosphonooxypropyl) (9Z,12Z)-heptadeca-9,12-dienoate
[(4E,8E)-2-acetamido-3-hydroxydodeca-4,8-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
(6aR,6bR,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
D000970 - Antineoplastic Agents
1-Oleyl-sn-glycero-3-phosphate(2-)
A 1-alkyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-oleyl-sn-glycero-3-phosphate; major species at pH 7.3.
1-Octadecylglycerone 3-phosphate(2-)
A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-octadecylglycerone 3-phosphate; major species at pH 7.3.
1-(1Z-octadecenyl)-sn-glycero-3-phosphate(2-)
A 1-(Z)-alk-1-enyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of any 1-(1Z-octadecenyl)-sn-glycero-3-phosphate; major species at pH 7.3.
(1r,2s,3r,6r,7r,8r,9r,13z)-9-(acetyloxy)-6-isopropyl-3,9,13-trimethyl-12-oxo-15-oxatricyclo[6.6.1.0²,⁷]pentadec-13-en-3-yl acetate
(3r,4as,6r,6as,8s,10as,10br)-8-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentamethyl-5-oxo-octahydronaphtho[2,1-b]pyran-6-yl acetate
methyl (1s,2s,3s,6r,7s,10r,11r,12r)-2-[5-(2h-1,3-benzodioxol-5-yl)pentyl]tetracyclo[8.2.1.0³,¹².0⁶,¹¹]trideca-4,8-diene-7-carboxylate
methyl (1s,2s,3r,6r,7r,10s,11s,12s)-2-[5-(2h-1,3-benzodioxol-5-yl)pentyl]tetracyclo[8.2.1.0³,¹².0⁶,¹¹]trideca-4,8-diene-7-carboxylate
(6bs,8ar,11s,12as,12br,14as)-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
5-[6,7-bis(acetyloxy)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
(1s,2r,4as,5'r,5''r,8as)-5''-methoxy-2,5,5,8a-tetramethyl-4-methylidene-3-oxo-tetrahydrodispiro[naphthalene-1,2':5',3''-bis(oxolane)]-2-yl acetate
4,6,16-trihydroxy-9,12,13-trimethyl-14-(2-methylpropyl)-2h,3h,4h,6h,7h,8h,10ah,13h,13ah,14h-1-oxa-2-azacyclododeca[12,11-d]isoindol-5-one
5-methoxy-2-methyl-4-[(1r,6r)-4-(4-methylpent-3-en-1-yl)-6-phenylcyclohex-3-ene-1-carbonyl]benzene-1,3-diol
13-(acetyloxy)-11-hydroxy-4,9,12-trimethyl-15-(prop-1-en-2-yl)-5-oxatricyclo[10.3.0.0⁴,⁶]pentadec-9-en-2-yl acetate
(2r)-2-[(1r,3ar,8as)-1,4,4-trimethyl-8-methylidene-hexahydro-2h-azulen-1-yl]-2-[(3r,4s)-4-(acetyloxy)-5-oxooxolan-3-yl]ethyl acetate
(1r,2s,3r,6r,7r,8r,9r)-9-(acetyloxy)-6-isopropyl-3,9-dimethyl-13-methylidene-12-oxo-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-3-yl acetate
(5e,7e,9e,11e,13e,15e,17e,19z,21e,23e)-3-hydroxy-24-methyl-25-oxohexacosa-5,7,9,11,13,15,17,19,21,23-decaenoic acid
(4s,6r,10as,13s,13as,14s,16ar)-4,6,16-trihydroxy-9,12,13-trimethyl-14-(2-methylpropyl)-2h,3h,4h,6h,7h,8h,10ah,13h,13ah,14h-1-oxa-2-azacyclododeca[11,12-d]isoindol-5-one
[(1r,2s,4s,5s,6r,9r,10s,13r,16s)-16-(acetyloxy)-2,6-dihydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-5-yl]methyl acetate
2-[(8z,10r)-10-(acetyloxy)pentadec-8-en-1-yl]-4,6-dihydroxybenzoic acid
3,4a,6',7,7',11a-hexamethyl-5,6,6a,11b-tetrahydro-1h,3'h-spiro[cyclohepta[a]naphthalene-4,2'-furo[3,2-c]pyran]-4',9-dione
[6-(acetyloxy)-12,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methyl acetate
4a-hydroxy-4,4,11b-trimethyl-7-methylidene-1h,2h,3h,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-5-yl benzoate
8-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentamethyl-5-oxo-octahydronaphtho[2,1-b]pyran-6-yl acetate
(6bs,8as,11r,12ar,12bs,14ar)-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
18-hydroxy-5,5,9-trimethyl-14-oxo-15,17-dioxapentacyclo[11.5.1.0¹,¹⁰.0⁴,⁹.0¹⁶,¹⁹]nonadecan-2-yl butanoate
n-{1-[6-(ethylsulfanyl)-3,4,5-trihydroxyoxan-2-yl]-2-hydroxypropyl}-1-methyl-4-propylpyrrolidine-2-carboximidic acid
(10r,11r,12ar,12bs,14as)-3,10-dihydroxy-4,7,11,12b,14a-pentamethyl-8,8a,10,11,12,12a,13,14-octahydropicene-2,9-dione
(1r*,3s*,4r*,6s*)-9-(acetoxy)-4-acetoxy-1-[(2z)-2-methylbut-2-enoyloxy]bisabol-2(3),10(11)-diene
{"Ingredient_id": "HBIN003107","Ingredient_name": "(1r*,3s*,4r*,6s*)-9-(acetoxy)-4-acetoxy-1-[(2z)-2-methylbut-2-enoyloxy]bisabol-2(3),10(11)-diene","Alias": "NA","Ingredient_formula": "C24H36O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "118","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-oxo-iguesterol
{"Ingredient_id": "HBIN012737","Ingredient_name": "6-oxo-iguesterol","Alias": "NA","Ingredient_formula": "C28H36O3","Ingredient_Smile": "CC1=CCC2(CCC3(C4=CC(=O)C5=C(C(=C(C=C5C4(CCC3(C2C1)C)C)O)O)C)C)C","Ingredient_weight": "420.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16348","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10342107","DrugBank_id": "NA"}
7α,18-diacetoxy,9β,13β-epi-dioxiabiet-8(14)-ene
{"Ingredient_id": "HBIN013030","Ingredient_name": "7\u03b1,18-diacetoxy,9\u03b2,13\u03b2-epi-dioxiabiet-8(14)-ene","Alias": "NA","Ingredient_formula": "C24H36O6","Ingredient_Smile": "CC(C)C12CCC3(C(=C1)C(CC4C3(CCCC4(C)COC(=O)C)C)OC(=O)C)OO2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5294","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9alpha,10beta-diacetoxy-5alpha,13alpha-dihydroxy-4(20),11-taxadiene
{"Ingredient_id": "HBIN014036","Ingredient_name": "9alpha,10beta-diacetoxy-5alpha,13alpha-dihydroxy-4(20),11-taxadiene","Alias": "9\u03b1,10\u03b2-diacetoxy-5\u03b1,13\u03b1-dihydroxy-4(20),11-taxadiene","Ingredient_formula": "C24H36O6","Ingredient_Smile": "CC1=C2C(C(C3(CCC(C(=C)C3CC(C2(C)C)CC1O)O)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30881;5293","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}