Exact Mass: 500.2539
Exact Mass Matches: 500.2539
Found 500 metabolites which its exact mass value is equals to given mass value 500.2539
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Withaperuvin E
Withaperuvin E is a constituent of Physalis peruviana (Cape gooseberry)
Travoprost
Travoprost is only found in individuals that have used or taken this drug. Travoprost ophthalmic solution is a topical medication used for controlling the progression of glaucoma or ocular hypertension, by reducing intraocular pressure. It is a synthetic prostaglandin F2alpha analogue. [Wikipedia]Travoprost free acid is a selective FP prostanoid receptor agonist and is believed to reduce intraocular pressure by increasing the drainage of aqueous humor, which is done primarily through increased uveoscleral outflow and to a lesser extent, trabecular outflow facility. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EE - Prostaglandin analogues C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78568 - Prostaglandin Analogue
Tigloylgomicin H
Tigloylgomicin H is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
15(S)-Fluprostenol isopropyl ester
Adavosertib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors
Cynanchagenin
Qingyangshengenin is a corticosteroid hormone. Qingyanshengenin (NSC 379666; compound 2), a pregnane glycoside, is a C21 steroidal aglycone isolated from the root of Cynanchumot ophyllum (Asclepiadaceae). Qingyanshengenin has anti-cancer activity[1]. Qingyanshengenin (NSC 379666; compound 2), a pregnane glycoside, is a C21 steroidal aglycone isolated from the root of Cynanchumot ophyllum (Asclepiadaceae). Qingyanshengenin has anti-cancer activity[1].
Angeloylgomisin
Angeloylgomisin h is a tannin. Angeloylgomisin H is a natural product found in Schisandra chinensis with data available. See also: Schisandra chinensis fruit (part of). Angeloylgomisin H, as a major lignin extract of Schisandra rubriflora, has the potential to improve insulin-stimulated glucose uptake by activating PPAR-γ[1]. Angeloylgomisin H, as a major lignin extract of Schisandra rubriflora, has the potential to improve insulin-stimulated glucose uptake by activating PPAR-γ[1]. Angeloylgomisin H, as a major lignin extract of Schisandra rubriflora, has the potential to improve insulin-stimulated glucose uptake by activating PPAR-γ[1].
Methyl (3β,8α,9ξ,13α)-3-acetoxy-17-hydroxy-4,4,8,12,16-pentamethyl-15,19-dioxo-6,19-epoxyandrosta-11,16-diene-14-carboxylate
methyl (1S,5S,9S,10R,15R)-15-(acetyloxy)-8-hydroxy-4,5,7,10,14,14-hexamethyl-6,18-dioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadeca-3,7-diene-9-carboxylate
(6R,7E,9R)-9-hydroxy-4,7-megastigmadien-3-one 9-O-[alpha-L-arabinopyranosyl-(1 -> 6)-beta-D-glucopyranoside]
9-Hydroxy-gamma-geraniol-1-O-<4,6-diacetyl-3-(2-methylbutanoyl)>-beta-D-glucopyranoside|9-Hydroxy-gamma-geraniol-1-O-[4,6-diacetyl-3-(2-methylbutanoyl)]-beta-D-glucopyranoside
9-Acetoxy-gamma-geraniol-1-O-<6-acetyl-3-(2-methylbutanoyl)>-beta-D-glucopyranoside|9-Acetoxy-gamma-geraniol-1-O-[6-acetyl-3-(2-methylbutanoyl)]-beta-D-glucopyranoside
(5alpha,6beta,18S,22R)-18,20-epoxy-5,6,22-trihydroxy-18-methoxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone|withaphysalin R
14beta-acetoxy-3beta-benzoyloxy-7beta,9alpha,15beta-trihydroxyjatropha-5E,11E-diene|euphoheliosnoid F
Melianthusigenin
[(2S,3R,4R)-4-(3,4-dimethoxybenzyl)-2-(3,4,5-trimethoxyphenyl)-tetrahydrofuran-3-yl]-methyl (2Z)-2-methylbut-2-en-oate
(23R)-5alpha,6beta,12beta,21-tetrahydroxy-1,22-dioxo-12,23-cycloergosta-2,17,24-trien-26,23-olide|jaborosalactone 25
desacetylcinobufagin 3-succinate|Desacetylcinobufagin-3-hemisuccinat
(3S,5S,10S,11S,13R,16R,17S,20S,22R,23S,24S)-16,22-epoxy-21,23-lactone-3,11,24-trihydroxystigmasta-8,14-dien-28-one|vernoanthelcin E
2-{[2,6-dihydroxy-4-methoxy-3-(1-oxobutyl)phenyl]methyl}-3,5-dihydroxy-4-methyl-4-(3-methyl-2-butenyl)-6-(1-oxobutyl)-2,5-cyclohexadien-1-one|elaphopilosin D
(1R,2S,4R,5S,6R,7R,9S,10R)-1,6-diacetoxy-9-cinnamoyloxy-2-hydroxydihydro-beta-agarofuran
1alpha,2alpha-diacetoxy-9beta-cinnamoyloxy-4beta-hydroxydihydro-beta-agarofuran
3beta-O-(beta-D-2-deoxy-rhamnosyl)-8,14beta-epoxy-5beta-carda-16,20(22)-dienolide|dehydroadynerizoside
Confluentic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
(20R,22R,23S)-5alpha,6beta-epoxy-4beta,12beta,17beta,22-tetrahydroxy-1-oxo-12,23-cycloergosta-2,24-dien-26,23-olide|jaborosalactone 12
2,3,16alpha,20-tetrahydroxy-29-norcucurbita-1,3,5(10),23(E)-tetraene-11,22-dione|desacetylfevicordin A
1beta,2beta-diacetoxy-9alpha-(3-phenyl-2-oxiranylcarboxy)-beta-dihydroagarofuran|1beta,2beta-diacetoxy-9alpha-beta-phenyloxacyclobutanoyloxy-beta-dihydroagarofuran|9-(2,3-Epoxycinnamoyl),1,2-di-Ac-(1alpha,2alpha,9beta)-1,2,9-Trihydroxdihydro-beta-agarofuran|9-(2,3-Epoxycinnamoyl),1,2-di-Ac-1,2,9-Trihydroxydihydro-beta-agarofuran
7beta-hydroxy-3,11,15,23-tetraoxo-5alpha-lanosta-8-en-26-oic acid|ganoderic acid D
3,19-Di-Ac-(3beta,5beta,14beta,15beta)-3,5,19-Trihydroxy-14,15-epoxybufa-20,22-dienolide
(13S)-ent-18-(E)-caffeoyloxy-7beta-hydroxy-3-cleroden-15-oic acid|ent-18-(E)-Caffeoyloxy-7??-hydroxy-3-cleroden-15-oic acid
Withaphysalin R
Tigloylgomisin H
tigloylgomisin H is a natural product found in Schisandra chinensis with data available. See also: Schisandra chinensis fruit (part of).
4beta-deoxyphorbol 12-tiglate-13-isobutyrate (4-dPE A) / isolated from Euphorbia amygdaloides ssp. semiperfoliata
4alpha-deoxyphorbol 12-tiglate-13-isobutyrate (4a-dPE A) / isolated from Euphorbia amygdaloides ssp semiperfoliata
5-[3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxypentyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
C28H36O8_Androsta-11,15-diene-14-carboxylic acid, 3-(acetyloxy)-6,19-epoxy-15-hydroxy-4,4,8,12,16-pentamethyl-17,19-dioxo-, methyl ester, (3alpha,6alpha,9xi,14beta)
5-[3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxypentyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid [IIN-based: Match]
methyl (1S,5S,9S,10R,15R)-15-(acetyloxy)-8-hydroxy-4,5,7,10,14,14-hexamethyl-6,18-dioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadeca-3,7-diene-9-carboxylate_major
methyl (1S,5S,9S,10R,15R)-15-(acetyloxy)-8-hydroxy-4,5,7,10,14,14-hexamethyl-6,18-dioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹?.0?,?]nonadeca-3,7-diene-9-carboxylate
Ala Lys Pro Trp
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Pro Lys Glu Gln
Pro Lys Gln Glu
Pro Lys Trp Ala
Pro Asn Asp Arg
Pro Asn Arg Asp
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Pro Gln Lys Glu
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Pro Arg Asp Asn
Pro Arg Asn Asp
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Pro Arg Thr Gln
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Pro Thr His Phe
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Thr Phe His Pro
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Thr His Ile Met
Thr His Leu Met
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Thr His Met Leu
Thr His Pro Phe
Thr Ile His Met
Thr Ile Met His
Thr Leu His Met
Thr Leu Met His
Thr Met His Ile
Thr Met His Leu
Thr Met Ile His
Thr Met Leu His
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Thr Pro His Phe
Thr Pro Gln Arg
Thr Pro Arg Gln
Thr Gln Pro Arg
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Val Phe His Val
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Trp Ala Lys Pro
Trp Ala Pro Lys
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Trp Gln Pro Ala
Travaprost
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EE - Prostaglandin analogues C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78568 - Prostaglandin Analogue
5-trans Fluprostenol isopropyl ester
15(S)-Fluprostenol isopropyl ester
Withaperuvin E
Tigloylgomicin H
[2S,3S,5S]-2-Amino-3-hydroxy-5-tert-butyloxycarbonylamino-1,6-diphenylhexane fumarate salt
((2E,4E)-3-METHYL-5-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)PENTA-2,4-DIEN-1-YL)TRIPHENYLPHOSPHONIUM CHLORIDE
2-benzofuran-1,3-dione,2-ethylhexan-1-ol,hexanedioic acid,propane-1,2-diol
isopropyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-4-[3-(trifluoromethyl)-phenoxy]-1-butenyl]cyclopentyl]-5-heptenoate
15S-Travoprost
Tuspetinib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163790 - Flt-3-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
MK-1775
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N(2)-(diphenylacetyl)-D-argininamide
Norcholyltaurine(1-)
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
2-cyclopropyl-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
2-cyclopropyl-N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
(2S)-2-[(4R,5S)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
1-[(1S)-1-(hydroxymethyl)-7-methoxy-1-[(5-phenyl-3-isoxazolyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]ethanone
2-cyclopropyl-N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
2-cyclopropyl-N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
2-cyclopropyl-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
(2S)-2-[(4R,5S)-8-[2-(3-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5R)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5S)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5R)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
1-[(5R,6R,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
1-[(5R,6S,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methyl-2-phenylacetamide
(2R,3S)-8-(2-benzofuranyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
2-cyclopropyl-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
2-cyclopropyl-N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
(2S)-2-[(4S,5R)-8-[2-(3-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5R)-8-[2-(3-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5S)-8-[2-(3-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
2-cyclopropyl-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
(2R)-2-[(4R,5S)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5R)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5S)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5R)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
1-[(5S,6S,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methyl-2-phenylacetamide
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methyl-2-phenylacetamide
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methyl-2-phenylacetamide
Cyclopentanepropanoic acid, 3,5-bis(acetyloxy)-2-[3,8-bis(acetyloxy)octyl]-, methyl ester
(2S)-2-[(4R,5R)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
1-[(5S,6R,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
1-[(4S,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-fluorophenyl)urea
1-[(4S,7R,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-fluorophenyl)urea
1-[(4R,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-fluorophenyl)urea
1-[(4R,7S,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-fluorophenyl)urea
1-[(4R,7R,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-fluorophenyl)urea
1-[(4S,7S,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-fluorophenyl)urea
(5S,6R,9R)-14-acetamido-N-(2-fluorophenyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(2R)-2-[(4R,5R)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
1-[(5S,6S,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
1-[(5S,6R,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
1-[(5R,6R,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
1-[(4R,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-fluorophenyl)urea
1-[(4S,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-fluorophenyl)urea
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methyl-2-phenylacetamide
2-[(3R,6aR,8S,10aR)-1-benzoyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
(2S,3S,3aR,9bR)-7-[4-[dimethylamino(oxo)methyl]phenyl]-3-(hydroxymethyl)-6-oxo-N-(2-phenylethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
(2R,3R,3aS,9bS)-7-[4-[dimethylamino(oxo)methyl]phenyl]-3-(hydroxymethyl)-6-oxo-N-(2-phenylethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methyl-2-phenylacetamide
1-[(1R)-1-(hydroxymethyl)-7-methoxy-1-[(5-phenyl-3-isoxazolyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]ethanone
[(1R,2R,6S,10S,11R,13S,14R,15R)-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-(2-methylpropanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate
methyl (1S,5S,9S,10R,15R)-15-acetyloxy-6-hydroxy-4,5,7,10,14,14-hexamethyl-8,18-dioxo-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadeca-3,6-diene-9-carboxylate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
(1-hexanoyloxy-3-phosphonooxypropan-2-yl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
(1-acetyloxy-3-phosphonooxypropan-2-yl) (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
N-[(Z,4Z)-10-(2-benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl)-4-(chloromethylidene)-7,9-dimethyl-10-oxodec-8-enyl]-N-methylacetamide
methyl (1r,2s,5r,9r,10s,12s,15s)-15-(acetyloxy)-6-hydroxy-4,5,7,10,14,14-hexamethyl-8,18-dioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadeca-3,6-diene-9-carboxylate
(9s,10s)-10-hydroxy-3,4,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-5-yl 2-methylbut-2-enoate
(2r,3r,4r,5r,6r)-3-(acetyloxy)-2-[(acetyloxy)methyl]-5-hydroxy-6-{[(6z)-8-hydroxy-7-methyl-3-methylideneoct-6-en-1-yl]oxy}oxan-4-yl (2r)-2-methylbutanoate
(1s,2r,4s,5r,6r,7s,9r)-4,5-bis(acetyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl (2s,3r)-3-phenyloxirane-2-carboxylate
methyl (1s,2s,3r,8r,11s)-3-(acetyloxy)-2,7,7,11,14,17-hexamethyl-5,15-dioxo-6,12-dioxatetracyclo[9.9.0.0²,⁸.0¹³,¹⁹]icosa-13,16,18-triene-16-carboxylate
16-hydroxy-3,4,5,14,15-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2,4,6,13,15-hexaen-8-yl 2-methylbut-2-enoate
(4r)-2-butanoyl-6-[(3-butanoyl-2,6-dihydroxy-4-methoxyphenyl)methyl]-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one
(2ar,3r,5r,5ar,6as,6br,10ar,11r,12as,12bs,12cs)-5a,10a,11-trihydroxy-3-(hydroxymethyl)-3',4',6b,12c-tetramethyl-2,2a,3,6,6a,10,11,12,12a,12b-decahydro-1h-spiro[cyclohexa[j]aceanthrylene-5,2'-furan]-4,5',7-trione
3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-11-yl hexanoate
2-butanoyl-6-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one
15-(2-hydroxy-2-methylpropyl)-4,13,13,18-tetramethyl-12,26-dioxa-4,18-diazahexacyclo[12.12.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁵.0¹⁹,²⁴]hexacosa-2(11),5,7,9,16(25),19,21,23-octaene-3,17-dione
4-{[(1r,2s,4r,5r,6r,7r,10s,11s,14s,16r)-5-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-4-oxobutanoic acid
2-{[8-(acetyloxy)-7-methyl-3-methylideneoct-6-en-1-yl]oxy}-6-[(acetyloxy)methyl]-3,5-dihydroxyoxan-4-yl 2-methylbutanoate
(1s,2r,4r,10r,11s,13r,16s,17s,20s)-4,13,17-trihydroxy-16-[(2r)-2-hydroxy-4,5-dimethyl-6-oxo-3h-pyran-2-yl]-10,20-dimethyl-14-oxapentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-5,7-dien-9-one
(1s,2r,4r,5s,6s,7r,9s)-4,5-bis(acetyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl (2e)-3-phenylprop-2-enoate
[(2s,3r,4r)-4-(3,4-dimethoxybenzyl)-2-(3,4,5-trimethoxyphenyl)-tetrahydrofuran-3-yl]-methyl(2z)-2-methylbut-2-en-oate
{"Ingredient_id": "HBIN006635","Ingredient_name": "[(2s,3r,4r)-4-(3,4-dimethoxybenzyl)-2-(3,4,5-trimethoxyphenyl)-tetrahydrofuran-3-yl]-methyl(2z)-2-methylbut-2-en-oate","Alias": "NA","Ingredient_formula": "C28H36O8","Ingredient_Smile": "CC=C(C)C(=O)OCC1C(COC1C2=CC(=C(C(=C2)OC)OC)OC)CC3=CC(=C(C=C3)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6211","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Angeloylgomisin H
{"Ingredient_id": "HBIN016112","Ingredient_name": "Angeloylgomisin H","Alias": "angeloylgomisin h; angeloyl gomisin h","Ingredient_formula": "C28H36O8","Ingredient_Smile": "CC=C(C)C(=O)OC1=C2C(=CC(=C1OC)OC)CC(C(CC3=CC(=C(C(=C32)OC)OC)OC)(C)O)C","Ingredient_weight": "500.6 g/mol","OB_score": "7.507978149","CAS_id": "NA","SymMap_id": "SMIT10154","TCMID_id": "1206;27221","TCMSP_id": "MOL008955","TCM_ID_id": "NA","PubChem_id": "124355867","DrugBank_id": "NA"}