Exact Mass: 608.3362
Exact Mass Matches: 608.3362
Found 500 metabolites which its exact mass value is equals to given mass value 608.3362
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Berbamine
Berbamine is a member of isoquinolines and a bisbenzylisoquinoline alkaloid. Berbamine is a natural product found in Berberis poiretii, Berberis integerrima Berbamine inhibits the proliferation of KM3 cells in a dose- and time-dependent manner. Combination of berbamine with dexamethasone (Dex), doxorubicin (Dox) or arsenic trioxide (ATO) resulted in enhanced inhibition of cell growth. Flow cytometric analysis revealed that KM3 cells were arrested at G1 phase and apoptotic cells increased from 0.54\\\% to 51.83\\\% for 36 h. Morphological changes of cells undergoing apoptosis were observed under light microscope. Berbamine treatment led to increased expression of A20, down-regulation of IKKα, p-IκBα, and followed by inhibition of p65 nuclear localization. As a result, NF-κB downstream targets such as cyclinD1, Bcl-xL, Bid and survivin were down-regulated. Berbamine inhibits SARS-CoV-2 infection by compromising TRPMLs-mediated endolysosomal trafficking of ACE2. (+)-Berbamine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=478-61-5 (retrieved 2024-06-29) (CAS RN: 478-61-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Berbamine is a natural compound extracted from traditional Chinese medicine?Phellodendron amurense Rupr. with anti-tumor, immunomodulatory and cardiovascular effects. Berbamine?is a calcium channel blocker. Berbamine is a natural compound extracted from traditional Chinese medicine?Phellodendron amurense Rupr. with anti-tumor, immunomodulatory and cardiovascular effects. Berbamine?is a calcium channel blocker.
Oxyacanthine
Oxyacanthine is found in fruits. Oxyacanthine is an alkaloid from Berberis vulgaris (barberry
pycnamine
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Berbamine is a natural compound extracted from traditional Chinese medicine?Phellodendron amurense Rupr. with anti-tumor, immunomodulatory and cardiovascular effects. Berbamine?is a calcium channel blocker. Berbamine is a natural compound extracted from traditional Chinese medicine?Phellodendron amurense Rupr. with anti-tumor, immunomodulatory and cardiovascular effects. Berbamine?is a calcium channel blocker.
2-O-Protocatechuoylalphitolic acid
2-O-Protocatechuoylalphitolic acid is found in fruits. 2-O-Protocatechuoylalphitolic acid is a constituent of Zizyphus jujuba (Chinese date) Constituent of Zizyphus jujuba (Chinese date). 2-O-Protocatechuoylalphitolic acid is found in fruits.
Avenestergenin A2
Avenestergenin A2 is found in cereals and cereal products. Aglycone from oat root. Aglycone from oat root. Avenestergenin A2 is found in cereals and cereal products.
24-Acetyl- 25-cinnamoylvulgaroside
24-Acetyl- 25-cinnamoylvulgaroside is found in fruits. 24-Acetyl- 25-cinnamoylvulgaroside is a constituent of Cydonia vulgaris (quince). Constituent of Cydonia vulgaris (quince). 24-Acetyl- 25-cinnamoylvulgaroside is found in fruits.
Fangchinoline
(R)-Fangchinoline (Thalrugosine), a alkaloids from Stephania tetrandra,exhibits antimicrobial and hypotensive activity. The roots and stems of several plants from genus Stephania are all used as traditional Chinese medicine and have been used for treatment of fever, diarrhea, dyspepsia and urinary disease[1]. (R)-Fangchinoline (Thalrugosine), a alkaloids from Stephania tetrandra,exhibits antimicrobial and hypotensive activity. The roots and stems of several plants from genus Stephania are all used as traditional Chinese medicine and have been used for treatment of fever, diarrhea, dyspepsia and urinary disease[1].
BERBAMINE
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Berbamine is a natural compound extracted from traditional Chinese medicine?Phellodendron amurense Rupr. with anti-tumor, immunomodulatory and cardiovascular effects. Berbamine?is a calcium channel blocker. Berbamine is a natural compound extracted from traditional Chinese medicine?Phellodendron amurense Rupr. with anti-tumor, immunomodulatory and cardiovascular effects. Berbamine?is a calcium channel blocker.
Fangchinoline
Fangchinoline is a bisbenzylisoquinoline alkaloid that is (1beta)- berbaman which has been substituted by methyl groups at the 2 and 2 positions, by methoxy groups at the 6, 6, and 12 positions, and by a hydroxy group at position 7. Isolated from Stephania tetrandra, it has been found to possess neuroprotective and anti-tumour activity. It has a role as an antineoplastic agent, an anti-inflammatory agent, an antioxidant, an anti-HIV-1 agent, a neuroprotective agent and a plant metabolite. It is a macrocycle, a bisbenzylisoquinoline alkaloid and an aromatic ether. Fangchinoline is a natural product found in Pachygone dasycarpa, Stephania hernandifolia, and other organisms with data available. A bisbenzylisoquinoline alkaloid that is (1beta)- berbaman which has been substituted by methyl groups at the 2 and 2 positions, by methoxy groups at the 6, 6, and 12 positions, and by a hydroxy group at position 7. Isolated from Stephania tetrandra, it has been found to possess neuroprotective and anti-tumour activity. Thalrugosine is a natural product found in Spirospermum penduliflorum, Thalictrum sachalinense, and other organisms with data available. (R)-Fangchinoline (Thalrugosine), a alkaloids from Stephania tetrandra,exhibits antimicrobial and hypotensive activity. The roots and stems of several plants from genus Stephania are all used as traditional Chinese medicine and have been used for treatment of fever, diarrhea, dyspepsia and urinary disease[1]. (R)-Fangchinoline (Thalrugosine), a alkaloids from Stephania tetrandra,exhibits antimicrobial and hypotensive activity. The roots and stems of several plants from genus Stephania are all used as traditional Chinese medicine and have been used for treatment of fever, diarrhea, dyspepsia and urinary disease[1]. Fangchinoline is isolated from Stephania tetrandra with extensive biological activities, such as enhancing immunity, anti-inflammatory sterilization and anti-atherosclerosis. Fangchinoline, a novel HIV-1 inhibitor, inhibits HIV-1 replication by impairing gp160 proteolytic processing[1]. Fangchinoline targets Focal adhesion kinase (FAK) and suppresses FAK-mediated signaling pathway in tumor cells which highly expressed FAK[2]. Fangchinoline induces apoptosis and adaptive autophagy in bladder cancer[3]. Fangchinoline is isolated from Stephania tetrandra with extensive biological activities, such as enhancing immunity, anti-inflammatory sterilization and anti-atherosclerosis. Fangchinoline, a novel HIV-1 inhibitor, inhibits HIV-1 replication by impairing gp160 proteolytic processing[1]. Fangchinoline targets Focal adhesion kinase (FAK) and suppresses FAK-mediated signaling pathway in tumor cells which highly expressed FAK[2]. Fangchinoline induces apoptosis and adaptive autophagy in bladder cancer[3].
3alpha-Angeloyloxy-2beta,15,16-trihydroxy-ent-labda-7,13E-dien-2-O-beta-[fucopyranoside-4-O-acetate]
Taxezopidine G
Taxezopidine G is a natural product found in Taxus wallichiana var. wallichiana, Taxus canadensis, and Taxus cuspidata with data available.
2-O-Protocatechuoylalphitolic acid
(2E,6Z)-2,6-dimethyl-8-[(O-alpha-L-rhamnopyranosyl-(1->3)-alpha-L-rhamnopyranosyl)-oxy]-octadien-1-yl alpha-L-rhamnopyranoside
(25S)-22alpha,25-epoxyfurost-5-ene-3beta,11alpha,26-triol 26-O-beta-D-glucopyranoside
sarmentogenin-3-O-6-O-propanoyl-beta-D-allopyranoside
5alpha-cinnamoyl-9alpha,10beta,13alpha-triacetoxy-11(15->1)abeotaxa-4(20),11-dien-15-ol|7-deacetoxytaxuspine J
6-deoxy-3-O-methyl-beta-allopyranosyl(1-4)-beta-cymaropyranosyl(1-4)-beta-cymaropyranosyl(1-4)-beta-cymaronic acid delta-lactone
22-Hydroxy-25(R,S)-furost-5-en-12-on-3??,22,26-triol 26-O-??-D-glucopyranoside
3-(3, 4-Dihydroxybenzoyl)-2, 3-Dihydroxy-12-lupen-28-oic acid
Convolvidine
Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids
(25S)-17alpha,27-dihydroxyspirost-5-en-3beta-yl beta-D-glucopyranoside
(51R,71R)-57,76,7-trimethoxy-52,72-dimethyl-51,2,3,4,71,2,3,4-octahydro-2,6-dioxa-1(1,3),3(1,4)-dibenzena-5(1,6),7(5,1)-diisoquinolina-cyclooctaphan-16-ol|Nemuarin|Nemuarine
1beta,3alpha,22xi-trihydroxy-furost-5,25(27)-dien-26-yl O-beta-D-glucopyranoside|tupistroside D
4,6,8,12,14,16-hexahydroxy-15-carboxyl-3,27-dimethyl-28-isopropyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one|strevertene E
(25S)-3beta,17alpha-dihydroxyspirost-5-en-27-yl beta-D-glucopyranoside
12,6,7-trimethoxy-2,2-dimethyl-(1betaH)-thalman-6-ol|Dryadin|Dryadine
14-deoxy-14,15-didehydroponasteroside A|brainesteroside B
(1xiH,1xiH)-6,7,12,6-tetramethoxy-2-methyl-rodiasan-12-ol|N-demethyl-rodiasine|Ocotin|Ocotine
4,6,8,12,14,16-hexahydroxy-15-carboxyl-27-methyl-3,28-diethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one|strevertene D
16,56,77-trimethoxy-52,72-dimethyl-51,2,3,4,71,2,3,4-octahydro-2,6-dioxa-1(1,3),3(1,4)-dibenzena-5(1,8),7(6,1)-diisoquinolina-cyclooctaphan-57-ol|Homothalicrin
1beta,3beta-dihydroxypregna-5,16-dien-20-one 1-O-alpha-L-rhamnopyranosyl-(1->2)-O-alpha-L-arabinopyranoside|pregna-5,16-dien-1beta,3beta-diol 1-O-[alpha-L-rhamnopyranosyl-(1->2)]-alpha-L-arabinopyranoside
3beta,21beta,29-trihydroxyserrat-14-en-24-oic acid 3beta-(4-hydroxybenzoate)
Tyr Asp Arg Arg
Oxyacanthine
A macrocycle that is oxyacanthan that is substituted by methoxy groups at positions 6, 6, and 7, methyl groups at positions 2 and 2, and a hydroxy group at the 12 position. Annotation level-1
Lauberine
Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids
Asp Arg Arg Tyr
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Glu Phe Lys Trp
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Phe Lys Glu Trp
Phe Lys Trp Glu
Phe Met Arg Arg
Phe Arg Met Arg
Phe Arg Arg Met
Phe Arg Thr Trp
Phe Arg Trp Thr
Phe Thr Arg Trp
Phe Thr Trp Arg
Phe Trp Glu Lys
Phe Trp Lys Glu
Phe Trp Arg Thr
Phe Trp Thr Arg
Ile Lys Trp Tyr
Ile Lys Tyr Trp
Ile Gln Trp Tyr
Ile Gln Tyr Trp
Ile Trp Lys Tyr
Ile Trp Gln Tyr
Ile Trp Tyr Lys
Ile Trp Tyr Gln
Ile Tyr Lys Trp
Ile Tyr Gln Trp
Ile Tyr Trp Lys
Ile Tyr Trp Gln
Lys Glu Phe Trp
Lys Glu Trp Phe
Lys Phe Glu Trp
Lys Phe Trp Glu
Lys Ile Trp Tyr
Lys Ile Tyr Trp
Lys Leu Trp Tyr
Lys Leu Tyr Trp
Lys Trp Glu Phe
Lys Trp Phe Glu
Lys Trp Ile Tyr
Lys Trp Leu Tyr
Lys Trp Tyr Ile
Lys Trp Tyr Leu
Lys Tyr Ile Trp
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Gln Ile Trp Tyr
Gln Ile Tyr Trp
Gln Leu Trp Tyr
Gln Leu Tyr Trp
Gln Trp Ile Tyr
Gln Trp Leu Tyr
Gln Trp Tyr Ile
Gln Trp Tyr Leu
Gln Tyr Ile Trp
Gln Tyr Leu Trp
Gln Tyr Trp Ile
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Arg Asp Arg Tyr
Arg Asp Tyr Arg
Arg Phe Met Arg
Arg Phe Arg Met
Arg Phe Thr Trp
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Arg Met Arg Phe
Arg Arg Asp Tyr
Arg Arg Phe Met
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Arg Arg Tyr Asp
Arg Thr Phe Trp
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Arg Trp Thr Phe
Arg Tyr Asp Arg
Arg Tyr Arg Asp
Thr Phe Arg Trp
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Thr Arg Phe Trp
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Thr Trp Phe Arg
Thr Trp Arg Phe
Trp Glu Phe Lys
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Trp Phe Lys Glu
Trp Phe Arg Thr
Trp Phe Thr Arg
Trp Ile Lys Tyr
Trp Ile Gln Tyr
Trp Ile Tyr Lys
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Trp Lys Glu Phe
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Tyr Ile Gln Trp
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Tyr Ile Trp Gln
Tyr Lys Ile Trp
Tyr Lys Leu Trp
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Tyr Lys Trp Leu
Tyr Leu Lys Trp
Tyr Leu Gln Trp
Tyr Leu Trp Lys
Tyr Leu Trp Gln
Tyr Gln Ile Trp
Tyr Gln Leu Trp
Tyr Gln Trp Ile
Tyr Gln Trp Leu
Tyr Arg Asp Arg
Tyr Arg Arg Asp
Tyr Trp Ile Lys
Tyr Trp Ile Gln
Tyr Trp Lys Ile
Tyr Trp Lys Leu
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Tyr Trp Leu Gln
Tyr Trp Gln Ile
Tyr Trp Gln Leu
Avenestergenin A2
24-Acetyl- 25-cinnamoylvulgaroside
Dokdolipid C
Brainesteroside B
4-(beta-D-Glucopyranosyloxy)-7,8-dihydro-4,4-diapo-psi,psi-caroten-4-oic acid
tert-butyl N-[[4-[[(4-amino-6-chloropyrimidin-2-yl)amino]methyl]cyclohexyl]methyl]-N-[3-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate
alpha-d-Glucopyranoside, beta-d-fructofuranosyl, octadecanoate
Sucrose stearate
Dispersant, solubiliser, dough strengthener, emulsifier for coffee whitening, shortening and ice cream. It is used for similar purposes to Sucrapan P above
1,3-bis[6-(3-benzylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium,trifluoride
Rocuronium bromide
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents M - Musculo-skeletal system > M03 - Muscle relaxants > M03A - Muscle relaxants, peripherally acting agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant Rocuronium Bromide (ORG 9426 Bromide) is an aminosteroid non-depolarizing neuromuscular blocker or muscle relaxant used in modern anaesthesia, to facilitate endotracheal intubation and to provide skeletal musclerelaxation during surgery or mechanical ventilation.
Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)iron(III)
24-Acetyl- 25-cinnamoylvulgaroside
24-Acetyl- 25-cinnamoylvulgaroside is found in fruits. 24-Acetyl- 25-cinnamoylvulgaroside is a constituent of Cydonia vulgaris (quince). Constituent of Cydonia vulgaris (quince). 24-Acetyl- 25-cinnamoylvulgaroside is found in fruits.
(2E,4E)-10-[(4S,4aR,6R,8S,8aR)-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]-9-oxodeca-2,4-dienoate
Sucrose-2,4-di-(2-methyl)butyryl-3-(3-methyl)pentanoate
Sucrose-2-(2-methyl)butyryl-4-(2-methyl)butyryl-3-(4-methyl)pentanoate
(2E,4E,7E,9S)-10-[(4S,4aR,6R,8S,8aR)-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]-9-hydroxydeca-2,4,7-trienoate
3-[(21S,22S)-26-ethyl-12-formyl-4-hydroxy-16-(1-hydroxyethyl)-17,19,21-trimethyl-11-propyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
3-[(21S,22S)-26-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-12,17,19,21-tetramethyl-11-(2-methylpropyl)-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
3-[1-[[(6S)-6-[[(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoyl]amino]-3-oxoheptanoyl]amino]cyclopropyl]-3-oxopropanoic acid
2-[[(2R)-3-acetyloxy-2-[(Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[(2R)-2-acetyloxy-3-[(Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-O-glutaroyl-1-O-palmitoyl-sn-glycero-3-phosphocholine(1-)
An ionic phospholipid obtained by deprotonation of the free carboxy group of 2-O-glutaroyl-1-O-palmitoyl-sn-glycero-3-phosphocholine; major species at pH 7.3.
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
2-[[(2R)-2-[(Z)-7-[(1R,4S,5R,6R)-6-[(E,3S)-3-hydroperoxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoyl]oxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
(1R)-20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol
[1-butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
[1-hexanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
[1-[(2-heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-heptadec-9-enoate
[1-[(2-hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-octadec-9-enoate
[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-icos-11-enoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-octanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-hexadec-9-enoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-nonadec-9-enoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-nonanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-pentadec-9-enoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-henicos-11-enoate
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-docos-13-enoate
[1-[(2-decanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-tetradec-9-enoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-undecanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-tridec-9-enoate
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-icos-11-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] (Z)-hexadec-9-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-nonanoyloxypropan-2-yl] (Z)-pentadec-9-enoate
(1-octanoyloxy-3-phosphonooxypropan-2-yl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (Z)-henicos-11-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] (Z)-heptadec-9-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] (Z)-octadec-9-enoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-docos-13-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (Z)-nonadec-9-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-undecanoyloxypropan-2-yl] (Z)-tridec-9-enoate
[1-decanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-tetradec-9-enoate
(Z)-12-[(tert-Butyldimethylsilyl)oxy]-9-octadecenoic acid 2-(4-bromophenyl)-2-oxoethyl ester
(1S)-21-hydroxy-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaen-9-olate
[1-phosphonooxy-3-[(5E,8E,11E)-tetradeca-5,8,11-trienoyl]oxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
[(2R)-1-decanoyloxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (E)-tetradec-9-enoate
[(2R)-2-decanoyloxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropyl] (E)-tetradec-9-enoate
[1-phosphonooxy-3-[(E)-tetradec-9-enoyl]oxypropan-2-yl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[1-phosphonooxy-3-[(7E,9E)-tetradeca-7,9-dienoyl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
10,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁸,²².0²⁷,³¹.0¹⁶,³⁴]hexatriaconta-3,5,8,10,12(34),18,20,22(33),24(32),25,27(31),35-dodecaen-9-ol
(1s,14r)-9,20,21,25-tetramethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaene
(2s,3s,4ar,5r,8as)-3-{[(2r,3s,4r,5s,6s)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-5-[(3z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl (2z)-2-methylbut-2-enoate
(11r,26r)-5,19,20-trimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.2¹³,¹⁶.1³,⁷.1¹⁸,²².0¹¹,³⁶.0²⁶,³³]hexatriaconta-1(30),3,5,7(36),13,15,18,20,22(33),28,31,34-dodecaen-4-ol
(1s,14r)-6,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,18(33),19,21,24(32),25,27(31),34-dodecaen-20-ol
(1r,3r,5s,7s,8s,9r,10r,13s)-7,9,10-tris(acetyloxy)-13-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2e)-3-phenylprop-2-enoate
(4s,5r,6r)-5-{[(2s,4s,5r,6r)-5-{[(2s,4r,5r,6r)-5-{[(2s,3r,4r,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-one
(1r,14s)-20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,18(33),19,21,24(32),25,27(31),34-dodecaen-6-ol
(1r,2r,3r,5s,8r,9r,10r,13s)-2,9,10-tris(acetyloxy)-5-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-13-yl (2e)-3-phenylprop-2-enoate
4,5,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2¹⁴,¹⁷.1¹⁹,²³.0³,⁸.0⁷,¹².0²⁹,³³]hexatriaconta-1(32),3(8),4,6,14,16,19(34),20,22,29(33),30,35-dodecaen-20-ol
2-{11',16'-dihydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-5-ylmethoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,14r)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaen-21-ol
(1s,3s,8r)-9,10,13-tris(acetyloxy)-2-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl 3-phenylprop-2-enoate
(9r)-5-(4-{[(1s)-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}phenoxy)-15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-4-ol
(1r,2r,3r,5s,8r,9r,10r)-2,9,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidene-13-oxotricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl 3-phenylpropanoate
20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24(32),25,27(31),35-dodecaen-9-ol
2,9,10-tris(acetyloxy)-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2h,3h,4h,4ah,6h,7h,8h,9h,10h-cyclohexa[f]azulen-6-yl 3-phenylprop-2-enoate
(1r,16r)-9,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁸,²².0²⁷,³¹.0¹⁶,³⁴]hexatriaconta-3,5,8,10,12(34),18,20,22(33),24(32),25,27(31),35-dodecaen-10-ol
methyl (2r,3r,7z,9s)-9-[3-(hexadecanoyloxy)prop-1-en-2-yl]-5-oxo-2-(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.1³,⁶]pentadeca-1(13),6(15),7,11-tetraene-12-carboxylate
(1r,14r)-6,20,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,18(33),19,21,24(32),25,27(31),34-dodecaen-21-ol
3-{4-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl)methyl]phenoxy}-10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one
(1r,14s)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24(32),25,27(31),35-dodecaen-9-ol
(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl (2r,3s)-2-{[(2r,3s)-2-{[(2r,3s)-2-{[(2r,3s)-2-hydroxy-3-methylpentanoyl]oxy}-3-methylpentanoyl]oxy}-3-methylpentanoyl]oxy}-3-methylpentanoate
(1s,16r)-9,10,25-trimethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.2¹⁸,²¹.1⁸,¹².0²⁷,³¹.0¹⁶,³⁵]heptatriaconta-3,5,8,10,12(35),18,20,24(32),25,27(31),33,36-dodecaen-32-ol
n-(4-carbamimidamidobutyl)-1-(2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-phenylpropanoyl)-6-hydroxy-octahydroindole-2-carboximidic acid
6,20,21,25-tetramethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1³,⁷.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]pentatriaconta-3,5,7(35),8(34),9,11,18(33),19,21,24(32),25,27(31)-dodecaen-9-ol
(1r,14s)-6,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,18(33),19,21,24(32),25,27(31),34-dodecaen-20-ol
8-{2-[3-(3,4-dimethoxybenzoyloxy)-8-azabicyclo[3.2.1]octan-8-yl]ethyl}-8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
22-hydroxy-25(r,s)-furost-5-en-12-on-3β,22,26-triol 26-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN003733","Ingredient_name": "22-hydroxy-25(r,s)-furost-5-en-12-on-3\u03b2,22,26-triol 26-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C33H52O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15842","TCMID_id": "10133","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-2-norisotetrandrine
{"Ingredient_id": "HBIN006145","Ingredient_name": "(+)-2-norisotetrandrine","Alias": "NA","Ingredient_formula": "C37H40N2O6","Ingredient_Smile": "CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6)OC)OC)OC)OC","Ingredient_weight": "608.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15755","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "9960485","DrugBank_id": "NA"}
(+)-4''-o-methylcurine
{"Ingredient_id": "HBIN010777","Ingredient_name": "(+)-4''-o-methylcurine","Alias": "NA","Ingredient_formula": "C37H40N2O6","Ingredient_Smile": "CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)N(CCC6=CC(=C5O)OC)C)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14259","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
58092-24-3
{"Ingredient_id": "HBIN011329","Ingredient_name": "58092-24-3","Alias": "NA","Ingredient_formula": "C37H40N2O6","Ingredient_Smile": "CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)O)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC","Ingredient_weight": "608.72","OB_score": "25.20867389","CAS_id": "58092-24-3","SymMap_id": "SMIT10032","TCMID_id": "NA","TCMSP_id": "MOL008809","TCM_ID_id": "NA","PubChem_id": "181168","DrugBank_id": "NA"}
5α-cinnamoyloxy-10β-hydroxy-2α,9α,13α-tri-acetoxytaxa-4(20),11-diene
{"Ingredient_id": "HBIN011410","Ingredient_name": "5\u03b1-cinnamoyloxy-10\u03b2-hydroxy-2\u03b1,9\u03b1,13\u03b1-tri-acetoxytaxa-4(20),11-diene","Alias": "5alpha-cinnamoyloxy-10beta-hydroxy-2alpha,9alpha,13alpha-triacetoxytaxa-4(20),11-diene","Ingredient_formula": "C35H44O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3716;30790","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5alpha-(cinnamoyl)oxy-7beta-hydroxy-9alpha,10beta,13alpha-triacetoxytaxa-4(20),11-diene
{"Ingredient_id": "HBIN011412","Ingredient_name": "5alpha-(cinnamoyl)oxy-7beta-hydroxy-9alpha,10beta,13alpha-triacetoxytaxa-4(20),11-diene","Alias": "NA","Ingredient_formula": "C35H44O9","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C2(C)C)CC1OC(=O)C)C(=C)C(CC3O)OC(=O)C=CC4=CC=CC=C4)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30789","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5α-cinnamoyloxy-7β-hydroxy-9α,10β,13α-tri-acetoxytaxa-4(20),11-diene
{"Ingredient_id": "HBIN011413","Ingredient_name": "5\u03b1-cinnamoyloxy-7\u03b2-hydroxy-9\u03b1,10\u03b2,13\u03b1-tri-acetoxytaxa-4(20),11-diene","Alias": "NA","Ingredient_formula": "C35H44O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3715","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-antioquine
{"Ingredient_id": "HBIN016378","Ingredient_name": "(+)-antioquine","Alias": "NA","Ingredient_formula": "C37H40N2O6","Ingredient_Smile": "CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)O)C5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1459","TCMSP_id": "NA","TCM_ID_id": "9919","PubChem_id": "NA","DrugBank_id": "NA"}