Exact Mass: 578.2621
Exact Mass Matches: 578.2621
Found 500 metabolites which its exact mass value is equals to given mass value 578.2621
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Deserpidine
Deserpidine is an alkaloid ester, a methyl ester, a benzoate ester, an organic heteropentacyclic compound and a yohimban alkaloid. It derives from a hydride of a yohimban. Deserpidine is an ester alkaloid drug isolated from Rauwolfia canescens (family Apocynaceae) with antipsychotic and antihypertensive properties that has been used for the control of high blood pressure and for the relief of psychotic behavior. Deserpidine is a Catecholamine-depleting Sympatholytic. The physiologic effect of deserpidine is by means of Decreased Sympathetic Activity. Deserpidine is a natural product found in Aspergillus malignus, Cunila, and other organisms with data available. Deserpidine is an ester alkaloid derived from Rauwolfia canescens with antihypertensive activity. Deserpidine is a competitive inhibitor of the angiotensin converting enzyme (ACE). By competing with angiotensin I for ACE, deserpidine blocks the conversion of angiotensin I to angiotensin II, which is a potent vasoconstrictor. Reduced level of serum angiotensin II causes a decrease in blood pressure. Deserpidine also decreases angiotensin II-induced aldosterone secretion by the adrenal cortex. See also: Deserpidine; methyclothiazide (component of); Deserpidine; hydrochlorothiazide (component of). Deserpidine is only found in individuals that have used or taken this drug. It is an ester alkaloid drug isolated from Rauwolfia canescens (family Apocynaceae) with antipsychotic and antihypertensive properties that has been used for the control of high blood pressure and for the relief of psychotic behavior.Deserpidines mechanism of action is through inhibition of the ATP/Mg2+ pump responsible for the sequestering of neurotransmitters into storage vesicles located in the presynaptic neuron. The neurotransmitters that are not sequestered in the storage vesicle are readily metabolized by monoamine oxidase (MAO) causing a reduction in catecholamines. C - Cardiovascular system > C02 - Antihypertensives > C02A - Antiadrenergic agents, centrally acting > C02AA - Rauwolfia alkaloids C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent Deserpidine (Harmonyl) is an alkaloid isolated from the root of Rauwolfia canescens related to Reserpine. Deserpidine is used as an antihypertensive agent and a tranquilizer. Deserpidine is a competitive angiotensin converting enzyme (ACE) inhibitor. Deserpidine also decreases angiotensin II-induced aldosterone secretion by the adrenal cortex[1][2][3]. Deserpidine (Harmonyl) is an alkaloid isolated from the root of Rauwolfia canescens related to Reserpine. Deserpidine is used as an antihypertensive agent and a tranquilizer. Deserpidine is a competitive angiotensin converting enzyme (ACE) inhibitor. Deserpidine also decreases angiotensin II-induced aldosterone secretion by the adrenal cortex[1][2][3].
Pheophorbin a5, dipotassium salt
Withaperuvin H
Withaperuvin H is found in fruits. Withaperuvin H is a constituent of Physalis peruviana (Cape gooseberry). Constituent of Physalis peruviana (Cape gooseberry). Withaperuvin H is found in fruits.
Netupitant
C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent Netupitant (CID-6451149) is a highly potent, selective and orally active neurokinin-1 (NK1) receptor antagonist with a Ki of 0.95 nM for hNK1 in CHO cells. Netupitant has antiemetic affect[1][2][3].
(-)-isogaudichaudiic acid B|isogaudichaudiic acid B
(3alpha,11beta)-Cholest-5-ene-3,11,21-triol-3,21-Disulfate,
(11S*)-1beta,6alpha,11-Triacetoxy-7beta-isobutyryloxy-8beta-hydroxy-4(18),13-neoclerodadien-15,16-olide|Scuterulein C
1S-acetyloxy-4S,6R-dihydroxy-9S-benzoyloxy-13-cinnamoyloxy-beta-dihydroagarofuran
1alpha,6beta-diacetoxy-9beta,15-dibenzoyloxy-beta-dihydroagarofuran|fokienagarofuran B
5,10,13-acetyl-10-debenzoyl brevifoliol|5,10,13-Triacetyl-10- debenzoyl brevifoliol
5beta,14beta,16beta-trihydroxy-19-oxo-3beta-[(alpha-L-rhamnopyranosyl)oxy]bufa-20,22-dienolide
17alpha-hydroxyandrosta-4,6,15-trien-3-one 17-O-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside|ascandroside
(2R*,3S*,4R*,6R*,7R*,8R*,10R*,11R*,14S*)-3,9-di-(3-hydroxy-3-methylbutanoyloxy)-14-(3-methylbutanoyloxy)-14,15-epoxytrix-5(15)-en-4,12-olide
(2beta,3alpha)-2,21-Disulfate,Cholest-5-ene-2,3,21-triol
(1R,2S,3S,4S,5R,7R,9S,10R)-2-acetoxy-1-benzoyloxy-9-cis-cinnamoyloxy-3,4-dihydroxydihydro-beta-agarofuran
13-deacetylisodecipidone|butanoic acid rel-(2R,3R,3aS,4S,4aS,5S,8R,8aS,9R,10aS)-3,5,10a-tris(acetyloxy)-1,2,3,3a,4,4a,5,8,8a,9,10,10a-dodecahydro-9-hydroxy-4a-(hydroxymethyl)-2,9-dimethyl-8-(1-methylethenyl)-10-oxobenz[f]azulen-4-yl ester
(20R)-18,20-epoxycheiranthidin-4,6-dideoxy-2,3-methylenedioxy-beta-D-allopyranoside|epi-reevesioside H|reevesioside H
(1S,2S,7S,8R,9S,10S,14S,17R)-2-pivaloyloxy-9,14-diacetoxy-8-hydroxybriaran-5(6)-dien-18,7-olide|frajunolide P
bufadienolide hellebrigenin 3-O-beta-D-glucopyranoside
(1S,4S,5S,6R,7S,8S,9R,10S)-1-acetoxy-9-benzoyloxy-8-cinnamoyloxy-4,6-dihydroxydihydro-beta-agarofuran
3,7,17-O-triacetyl-5-O-butanoyl-13,15-dihydroxymyrsinol
(-)-11,12-dihydro-12-hydroxymorellic acid|(5R,7S,10aS,27S)-11,12-dihydro-12-hydroxymorellic acid|11,12-dihydro-12-hydroxymorellic acid
(2R*,3S*,4R*,6R*,7R*,8R*,10R*,11R*,14S*)-3,9-di-(3-hydroxy-3-methylbutanoyloxy)-14-(2-methylbutanoyloxy)-14,15-epoxytrix-5(15)-en-4,12-olide
(1beta,3alpha)-3,21-Disulfate,Cholest-5-ene-1,3,21-triol
(3alpha,4beta)-Cholest-5-ene-3,4,21-triol-3,21-Disulfate
Glu Gln Phe Arg
Elymoclavine-O-beta-fructofuranosyl-(2->1)-O-beta-D-ructofuranoside
Phellophyll a
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde [IIN-based on: CCMSLIB00000847504]
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde [IIN-based: Match]
Asp Lys Met Trp
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Phe Gln Glu Arg
Phe Gln Arg Glu
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Phe Arg Glu Gln
Phe Arg Gln Glu
Phe Val Gln Trp
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Phe Trp Ile Asn
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Arg Glu Phe Gln
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Arg Phe Glu Gln
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Withaperuvin H
ST 24:5;O6;Hex
Physachenolide B
2-((e)-2-(2-methoxy-3-[(e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl)ethenyl)-1,3,3-trimethyl-3h-indolium perchlorate
2-({6-[(3R)-3-{[3-(2-Cyanobenzyl)-1-methyl-2,6-dioxo-1,6-dihydro-4(2H)-pyrimidinyl]amino}-1-piperidinyl]-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}methyl)benzonitrile
Netupitant
C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent Netupitant (CID-6451149) is a highly potent, selective and orally active neurokinin-1 (NK1) receptor antagonist with a Ki of 0.95 nM for hNK1 in CHO cells. Netupitant has antiemetic affect[1][2][3].
Canescin
C - Cardiovascular system > C02 - Antihypertensives > C02A - Antiadrenergic agents, centrally acting > C02AA - Rauwolfia alkaloids C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent Deserpidine (Harmonyl) is an alkaloid isolated from the root of Rauwolfia canescens related to Reserpine. Deserpidine is used as an antihypertensive agent and a tranquilizer. Deserpidine is a competitive angiotensin converting enzyme (ACE) inhibitor. Deserpidine also decreases angiotensin II-induced aldosterone secretion by the adrenal cortex[1][2][3]. Deserpidine (Harmonyl) is an alkaloid isolated from the root of Rauwolfia canescens related to Reserpine. Deserpidine is used as an antihypertensive agent and a tranquilizer. Deserpidine is a competitive angiotensin converting enzyme (ACE) inhibitor. Deserpidine also decreases angiotensin II-induced aldosterone secretion by the adrenal cortex[1][2][3].
Orbiculin A
A dihydroagarofuran sesquiterpenoid that consists of dihydro-beta-agarofuran substituted by an acetoxy groups at positions 1 and 2 and benzoyloxy groups at positions 6 and 9 (the 1beta,2beta,6alpha,9alpha stereoisomer). Isolated from Celastrus orbiculatus, it exhibits inhibition of both NF-kappaB activation and nitric oxide production.
N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
(5S,6R,9R)-14-[[anilino(oxo)methyl]amino]-N-(3,5-dimethyl-4-isoxazolyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5R,6R,9S)-14-[[anilino(oxo)methyl]amino]-N-(3,5-dimethyl-4-isoxazolyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5R,6S,9R)-14-[[anilino(oxo)methyl]amino]-N-(3,5-dimethyl-4-isoxazolyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
2-[3-(7-amino-2-tert-butyl-4H-chromen-4-ylidene)prop-1-en-1-yl]-1-(5-carboxypentyl)-3,3-dimethyl-3H-indolium-5-sulfonate
3-[(17S,18R)-8,13-bis(ethenyl)-17-hydroxy-3,7,12,17-tetramethyl-5-oxospiro[22,23-dihydroporphyrin-18,2-oxolane]-2-yl]propanoic acid
3-[(17S,18S)-8,13-bis(ethenyl)-17-hydroxy-3,7,12,17-tetramethyl-5-oxospiro[22,23-dihydroporphyrin-18,2-oxolane]-2-yl]propanoic acid
6-[(2E)-2-[(E)-3-(2-tert-butyl-7-iminochromen-4-yl)prop-2-enylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoic acid
(5aR,6S,9R,9aR)-9-[[(5aS,6R,9S,9aS)-9-hydroxy-9-(hydroxymethyl)-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carbonyl]oxymethyl]-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)-
(1r,5r,6r,8s,9s,10s,13s,14r,15s)-14-[(3-hydroxy-3-methylbutanoyl)oxy]-10-methyl-5-{[(2r)-2-methylbutanoyl]oxy}-11-oxo-4,12-dioxapentacyclo[7.7.0.0¹,⁶.0²,¹³.0¹⁰,¹⁵]hexadec-2-en-8-yl 3-hydroxy-3-methylbutanoate
{[(4z,6r,8s,9s,10z,12s,13r,14s,16r)-3,6,13-trihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18-pentaen-9-yl]oxy}methanimidic acid
8,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
(1r,5r,6r,8s,9s,10s,13s,14r,15s)-14-[(3-hydroxy-3-methylbutanoyl)oxy]-10-methyl-5-[(3-methylbutanoyl)oxy]-11-oxo-4,12-dioxapentacyclo[7.7.0.0¹,⁶.0²,¹³.0¹⁰,¹⁵]hexadec-2-en-8-yl 3-hydroxy-3-methylbutanoate
(1s,2r,4s,5r,6r,7s,9r,12r)-5,12-bis(acetyloxy)-4-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,4s,9s,10r)-2,3,8,11-tetrakis(acetyloxy)-6-hydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-yl acetate
2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl 2-methylpropanoate
2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-15-yl 2-methylpropanoate
(1r,2s,3s,4r,5r,6r,7s,9r)-4-(acetyloxy)-2,3-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
(8r,21s)-16,27-dimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1(30),2,4(34),10,12,14(36),15(35),16,18,25(33),26,28(32)-dodecaene-13,26-diol
(1r,2r,3r,5s,7s,8s,9r,10r,13s)-2,9,10,13-tetrakis(acetyloxy)-5-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-7-yl acetate
8,10,16,22-tetrahydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-17-one
[(1r,3as,3bs,7s,9r,9ar,9bs,11as)-9-hydroxy-9a,11a-dimethyl-1-[(2r)-6-methyl-1-(sulfooxy)heptan-2-yl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid
14-[(3-hydroxy-3-methylbutanoyl)oxy]-10-methyl-5-[(3-methylbutanoyl)oxy]-11-oxo-4,12-dioxapentacyclo[7.7.0.0¹,⁶.0²,¹³.0¹⁰,¹⁵]hexadec-2-en-8-yl 3-hydroxy-3-methylbutanoate
4,5-bis(acetyloxy)-12-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylpropanoate
(8r,21s)-13,27-dimethoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25(33),26,28(32),30(34),35-dodecaen-26-ol
(1r,3r,5s,7r,8s,9r,10s,12r,14s,15s,17s,18s,19s,22s,23r)-8,10,17,22-tetrahydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-16-one
20,21,25-trimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,14,18(33),19,21,24(32),25,27(31),34-tridecaen-6-ol
(1r,3as,3br,9ar,9bs,11as)-9a,11a-dimethyl-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1h,3ah,3bh,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
9,20-dimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaen-25-ol
6-[2-carboxy-2-(hydroxymethyl)eth-1-en-1-yl]-2-hydroxy-2-({[2-(hydroxymethyl)-3-(5-isopropyl-3-oxo-4,5,6,7-tetrahydro-1h-2-benzofuran-4-yl)prop-2-enoyl]oxy}methyl)-5-isopropylcyclohexane-1-carboxylic acid
1β,6α-diacetoxy-8β,9β-dibenzoyloxy-β-dihydro-agarofuran
{"Ingredient_id": "HBIN002373","Ingredient_name": "1\u03b2,6\u03b1-diacetoxy-8\u03b2,9\u03b2-dibenzoyloxy-\u03b2-dihydro-agarofuran","Alias": "NA","Ingredient_formula": "C33H38O9","Ingredient_Smile": "CC1CCC(C2(C13C(C(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(O3)(C)C)OC(=O)C)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5291","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,10,13-triacetyl-10-debenzoyl brevifoliol
{"Ingredient_id": "HBIN010943","Ingredient_name": "5,10,13-triacetyl-10-debenzoyl brevifoliol","Alias": "NA","Ingredient_formula": "C30H42O11","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C(=C)C3CC2(CC1OC(=O)C)C(C)(C)O)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21517","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}