Exact Mass: 480.2723
Exact Mass Matches: 480.2723
Found 500 metabolites which its exact mass value is equals to given mass value 480.2723
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Emetine
A pyridoisoquinoline comprising emetam having methoxy substituents at the 6-, 7-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties. P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D005765 - Gastrointestinal Agents > D002400 - Cathartics D005765 - Gastrointestinal Agents > D004639 - Emetics D002491 - Central Nervous System Agents Origin: Plant; Formula(Parent): C29H40N2O4; Bottle Name:Emetine dihydrochloride; PRIME Parent Name:Emetine; PRIME in-house No.:V0282; SubCategory_DNP: Isoquinoline alkaloids, Emetine alkaloids Annotation level-1 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2501; CONFIDENCE confident structure
Alangicine
An isoquinoline alkaloid that is 1,2-didehydroemetan bearing two hydroxy substituents at positions 6 and 9 as well as three methoxy substituents at positions 7, 10 and 11.
Citronellyl beta-sophoroside
Citronellyl beta-sophoroside is found in green vegetables. Citronellyl beta-sophoroside is a constituent of flowers of damask rose (Rosa damascena var. bulgaria). Constituent of flowers of damask rose (Rosa damascena variety bulgaria). Citronellyl beta-sophoroside is found in herbs and spices and green vegetables.
PA(8:0/12:0)
PA(8:0/12:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(8:0/12:0), in particular, consists of one chain of caprylic acid at the C-1 position and one chain of lauric acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
PA(8:0/i-12:0)
PA(8:0/i-12:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(8:0/i-12:0), in particular, consists of one chain of caprylic acid at the C-1 position and one chain of isododecanoic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
25-Hydroxyvitamin D3 3-sulfate ester
Clocapramine
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Demethylzeylasteral
3-[4-[(E)-2-[6-(Dibutylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate
Emetine
Neoandrographolide
TZ-93
Demethylzeylasteral is a carbopolycyclic compound with formula C29H36O6, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite, an EC 2.4.1.17 (glucuronosyltransferase) inhibitor, an immunosuppressive agent, an anti-inflammatory agent and a nephroprotective agent. It is a carbopolycyclic compound, an enone, a cyclic ketone, an arenecarbaldehyde, an oxo monocarboxylic acid and a member of benzenediols. Demethylzeylasteral is a natural product found in Tripterygium regelii, Tripterygium hypoglaucum, and Tripterygium wilfordii with data available. A carbopolycyclic compound with formula C29H36O6, originally isolated from Tripterygium wilfordii. Demethylzeylasteral is a triterpene compound isolated from Tripterygium wilfordii Hook F, with anti-inflammatory, immunosuppressive and anti-tumor activities[1][2][3][4][5]. Demethylzeylasteral can significantly alleviates atherosclerosis (AS)[5]. Demethylzeylasteral inhibits triple-negative breast cancer invasion by blocking the canonical and non-canonical TGF-β signaling pathways[2].
ACon1_000667
Neoandrographolide is a natural product found in Tabernaemontana corymbosa, Andrographis paniculata, and Potamogeton natans with data available. Neoandrographolide is a diterpenoid compound isolated from Andrographis paniculata. Neoandrographolide is a diterpenoid compound isolated from Andrographis paniculata.
Glucosyl steviol
4-[2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
Vedelianin
A stilbenoid derivative isolated from Macaranga alnifolia and Macaranga alnifolia and has been shown to exhibit cytotoxic activity.
Demethylzeylasteral
Demethylzeylasteral is a triterpene compound isolated from Tripterygium wilfordii Hook F, with anti-inflammatory, immunosuppressive and anti-tumor activities[1][2][3][4][5]. Demethylzeylasteral can significantly alleviates atherosclerosis (AS)[5]. Demethylzeylasteral inhibits triple-negative breast cancer invasion by blocking the canonical and non-canonical TGF-β signaling pathways[2].
(2E,4aR,6R,7S,8E,10R)-10-Acetoxy-4a-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(E)-7-hydroxy-3,7-dimethyloct-3-enoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
(3alpha,14beta)-14,16-epoxy-18-[(beta-D-glucopyranosyl)oxy]-ent-abieta-7,15(17)-dien-3-ol|rubescensin L
8, 9, 18-Tri-Ac-(4beta, 8alpha, 9alpha, 14beta)-3(16)-Fusicoccene-4, 8, 9, 14, 18-pentol|Fusicoplagin B
alpha-elemol-(alpha-xylopyranoside-triacetate)|alpha-elemol-
6-oxo-pristimerol|6-oxopristimerol|Me ester-2,3-Dihydroxy-24-nor-6-oxo-1,3,5(10),7-friedelatetraen-29-oic acid
10,11,7-Trimethoxy-2-methyl-emetan-6-ol|2-methyl-cephaeline|N-Methyl-cephaelin
Didecanoylphosphatidic acid
A phosphatidic acid in which both of the phosphatidyl acyl groups are specified as decanoyl.
21,23:24,25-diepoxy-7-oxo-14,18-cycloapotirucalla-1,20-dien-3,4-olide|simaroubin A
triptohypol B
A pentacyclic triterpenoid with formula C30H40O5, originally isolated from Tripterygium doianum.
(16beta)-16-hydroxypristimerin|methyl (9b,13a,14b,16b,20a)-3,16-dihydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oate
(1R,4aS,6aS,6bR,8R,12aS,12bS,12cS,13aS,13bS,13cR)-1,3,4,5,6,6a,6b,7,8,12a,12b,12c,13a,13c-tetradecahydro-8,11-dihydroxy-1,6a,6b,9,12a-pentamethyl-2-methylidene-2H,10H-13b,4a-(epoxymethano)piceno[13,14-b]oxirene-10,15-dione|2,6beta-dihydroxy-3-oxo-11alpha,12alpha-epoxy-24-norursa-1,4,20(30)-trien-28,13beta-olide|asprellol B
3-O-beta-D-glucopyranosyl-14,19-dideoxyandrographolide
3beta,5alpha,20-trihydroxy-15beta-cinnamoyloxy-14-oxolathyra-6Z,12E-diene
methyl-3alpha-trans-cinnamoyloxy-2alpha-hydroxy-13,14Z-dehydrocativate
19-O-beta-D-altropyranosyl-3-oxo-isopimara-8(14),15-diene-7alpha-ol|virescenoside S
(2R*,3S*,4R*,5R*,6R*,9S*,11S*,15R*)-15beta-cinnamoyloxy-5alpha,6beta-epoxy-3beta,16-dihydroxy-14-oxolathyr-12E-ene|latilagascene B
13-hydroxy-4percenta,5beta-epoxycaryophyllen-(4-O-angeloyl-beta-D-glucopyranoside)|13-hydroxy-4percenta,5beta-epoxycaryophyllen-<4-O-angeloyl-beta-D-glucopyranoside>
steviolmonoside
[Chemical] Source; leaves of Stevia rebaudiana Morita and Stevia rebaudiana Bertoni
C22H40O11_(3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
C26H40O8_2(5H)-Furanone, 3-[2-[(1R,4aS,5R,8aS)-5-[(beta-D-glucopyranosyloxy)methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]
C29H36O6_(2E,4aR,6R,7S,8E,10R)-10-Acetoxy-4a-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(E)-7-hydroxy-3,7-dimethyloct-3-enoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol_major
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(7E)-(1S,3R,6R)-6,19-epithio-9,10-seco-5(10),7-cholestadiene-1,3,25-triol S,S-dioxide
(7E)-(1S,3R,6S)-6,19-epithio-9,10-seco-5(10),7-cholestadiene-1,3,25-triol S,S-dioxide
(7E)-(3S,6RS,24R)-6,19-epithio-9,10-seco-5(10),7-cholestadiene-3,24,25-triol S,S-dioxide
Citronellyl b-sophoroside
3-O-(alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid
(3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl 6-O-(6-deoxy-?-L-mannopyranosyl)-?-D-glucopyranoside
glas#16
An ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#16 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans.
(6R)-1alpha,25-dihydroxyvitamin D3 6,19-sulfur dioxide adduct
(6S)-1alpha,25-dihydroxyvitamin D3 6,19-sulfur dioxide adduct
(6RS,24R)-24,25-dihydroxyvitamin D3 6,19-sulfur dioxide adduct
Di-4-ANEPPS
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Butyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxy late
2-Ethoxy-4-[2-[[(1R)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoic acid ethyl ester
1,6-diisocyanatohexane,2,2-dimethylpropane-1,3-diol,ethane-1,2-diol,hexanedioic acid
1-(2-chlorophenyl)-3-methyl-1H-pyrazole-4,5-dione 4-[(4-dodecylphenyl)hydrazone]
Scintadren
V - Various > V09 - Diagnostic radiopharmaceuticals > V09X - Other diagnostic radiopharmaceuticals > V09XX - Various diagnostic radiopharmaceuticals
1-O-{(9R)-9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]decanoyl}-beta-D-glucopyranose
9-[(E)-4-[(6S)-4-hydroxy-3-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]-5-oxo-2H-pyran-6-yl]-3-methylbut-2-enoyl]oxynonanoic acid
[(3Z)-3-[(2E)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]ethylidene]-4-methylidenecyclohexyl] hydrogen sulfate
D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
Callysponginol sulfate A
An organic sodium salt which is the monosodium salt of callysponginol sulfonic acid A. It is isolated from the marine sponge Callyspongia truncata as a membrane type 1 matrix metalloproteinase (MT1-MMP) inhibitor.
Minabeolide 2
A withanolide that is (22R)-22,26-epoxyergosta-1,4,24-triene substituted by oxo groups at positions 3 and 26 and an acetoxy group at position 18. Isolated from Paraminabea acronocephala, it exhibits anti-inflammatory activity.
(-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-5-acetoxy-15-benzoyloxylathyra-6,12-dien-3-ol-14-one
A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-acetoxy-15-benzoyloxy-5,6-epoxylathyr-12-en-14-one
A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
(-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-3-acetoxy-15-benzoyloxylathyra-6,12-dien-5-ol-14-one
A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
[(1R,3E,9R,10E,13S,14R)-9-acetyloxy-1-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] benzoate
2,5-dimethyl-N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-3-pyrazolecarboxamide
(2R,3S,11bR)-2-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
(2S,3R)-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
(2S,3R)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
1-[(3,4-Dimethoxyphenyl)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-4-(4-methoxyphenyl)piperazine
(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
N-[[(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(2R,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-1-methyl-6-oxo-N-[2-(1-piperidinyl)ethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
N-[[(2S,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(2S,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(2R,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[(5S,6R,9R)-8-(cyclopropylmethyl)-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-pyridinecarboxamide
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-1-methyl-6-oxo-N-(2-piperidin-1-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
(1S,9R,10R,11R)-12-ethyl-10-(hydroxymethyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-5-phenyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
N-[(5S,6R,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyridinecarboxamide
(1R,9S,10S,11S)-12-ethyl-10-(hydroxymethyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-5-phenyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(5R,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-13,18-diene-2,20,27,28-tetrone
1alpha-Methyl-5alpha-androstan-3alpha-ol-17-one glucuronide
1-[3-(3-Chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide
methyl (2R,4aS,6aR,6aS,14aS)-10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
2,3-dihydroxypropyl [3-[(9Z,12Z)-heptadeca-9,12-dienoxy]-2-hydroxypropyl] hydrogen phosphate
(1-Heptanoyloxy-3-phosphonooxypropan-2-yl) tridecanoate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) heptadecanoate
(1-Acetyloxy-3-phosphonooxypropan-2-yl) octadecanoate
(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) tetradecanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) hexadecanoate
(1-Nonanoyloxy-3-phosphonooxypropan-2-yl) undecanoate
(1-Octanoyloxy-3-phosphonooxypropan-2-yl) dodecanoate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) pentadecanoate
7-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate
4-[2-[5,8a-dimethyl-2-methylidene-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
1,2-dicapryl-sn-glycero-3-phosphate
A 1,2-diacyl-sn-glycero-3-phosphate in which the acyl groups at positions 1 and 2 are specified as capryl (decanoyl).
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
methyl 5-[3-hydroperoxy-3-methyl-5-(3-methyl-5-oxo-2h-furan-2-yl)pent-4-en-1-yl]-6,8-dihydroxy-1,4a,6-trimethyl-hexahydro-2h-naphthalene-1-carboxylate
(1s,2s,4as,7s,10ar)-7-ethenyl-2-hydroxy-1,4a,7-trimethyl-1-({[(2r,3s,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3,4,5,6,8,10,10a-octahydrophenanthren-9-one
4-{3-[(2r)-7-hydroxy-2-(2-hydroxypropan-2-yl)-4-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzofuran-5-yl]propyl}-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol
methyl (1r,4as,5r,6r,8s,8ar)-5-[(3r,4e)-3-hydroperoxy-3-methyl-5-[(2s)-3-methyl-5-oxo-2h-furan-2-yl]pent-4-en-1-yl]-6,8-dihydroxy-1,4a,6-trimethyl-hexahydro-2h-naphthalene-1-carboxylate
(2r,3r,4s,5s,6r)-2-{[(3ar,5as,6s,7r,9as,9bs,11as)-7-hydroxy-6,9a-dimethyl-1-methylidene-2h,3ah,5h,5ah,7h,8h,9h,9bh,10h,11h,11ah-phenanthro[1,2-b]furan-6-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,4ar,5s,6r,8s,8ar)-5-[(2s,3as,5r,6ar)-5-hydroxy-hexahydrofuro[2,3-b]furan-2-yl]-8-(acetyloxy)-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl 2-methylpropanoate
(3e,5r,8s,9r,10r,11s,13s,15s,16r,18z,25s)-11-ethyl-2,20,27-trihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,18,20,26-pentaen-28-one
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1r,2r,4s,5r,9s,10s,13r)-2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
(1'r,3r,3ar,4's,5's,7s,8's,8ar,10'r,12'r)-1',5',7,10'-tetramethyl-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3ah-7'-oxaspiro[cyclohepta[b]furan-3,14'-tetracyclo[10.2.1.0²,¹¹.0⁴,⁸]pentadecan]-2'(11')-ene-2,6'-dione
(1s,3r,4ar,6r,6as,8r,10r,10as,10bs)-6,10-bis(acetyloxy)-3-ethenyl-8-hydroxy-3,4a,7,7,10a-pentamethyl-octahydro-1h-naphtho[2,1-b]pyran-1-yl acetate
(1r,2s,3s,4s,6r,7r,8r,9r,12s)-4,9-bis(acetyloxy)-12-hydroxy-6-isopropyl-3,9-dimethyl-13-methylidene-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-3-yl acetate
(1s,2r,5r,6s,10r,13s,14s,16s,17r,20s,21s,22r)-8-isopropyl-14-methoxy-2,5-dimethyl-15,19,23-trioxahexacyclo[18.2.1.0²,¹⁰.0⁵,⁹.0¹³,²².0¹⁶,²¹]tricos-8-ene-6,16,17,21-tetrol
(1r,3e,5r,7s,9z,11r,12r,13s,14s)-11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl (2e)-3-phenylprop-2-enoate
(1s,4s,8r,9s,12r)-4,8-dimethyl-9-[(3e)-3-methyl-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-10-methylidene-2-oxatricyclo[6.3.1.0⁴,¹²]dodecan-3-one
1-({3-ethyl-11-hydroxy-9,10-dimethoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-2-yl}methyl)-7-methoxy-3,4-dihydroisoquinolin-6-ol
(2e,5z,9z,13e)-6,10-bis[(acetyloxy)methyl]-15-hydroxy-2-(2-hydroxyethylidene)-14-methylpentadeca-5,9,13-trien-1-yl acetate
18-β-d-glucopyranosyloxy-8(17),13-ent-labda-dien-16,15-olide
{"Ingredient_id": "HBIN002092","Ingredient_name": "18-\u03b2-d-glucopyranosyloxy-8(17),13-ent-labda-dien-16,15-olide","Alias": "NA","Ingredient_formula": "C26H40O8","Ingredient_Smile": "CC1(CCCC2(C1CCC(=C)C2CCC3=CCOC3=O)C)COC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8699","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-cinnamoylphototaxicin ii
{"Ingredient_id": "HBIN011502","Ingredient_name": "5-cinnamoylphototaxicin ii","Alias": "NA","Ingredient_formula": "C29H36O6","Ingredient_Smile": "CC1C(=O)CC2C(C34C1(C2(C)C)C(C(C3(CCC(C4=C)OC(=O)C=CC5=CC=CC=C5)C)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3719","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-oxopristimerol
{"Ingredient_id": "HBIN012739","Ingredient_name": "6-oxopristimerol","Alias": "NA","Ingredient_formula": "C30H40O5","Ingredient_Smile": "CC1=C2C(=CC(=C1O)O)C3(CCC4(C5CC(CCC5(CCC4(C3=CC2=O)C)C)(C)C(=O)OC)C)C","Ingredient_weight": "480.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16400","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11754914","DrugBank_id": "NA"}