Exact Mass: 546.2312
Exact Mass Matches: 546.2312
Found 500 metabolites which its exact mass value is equals to given mass value 546.2312
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
asukamycin
A polyketide that is a member of the manumycin family of antibiotics and exhibits strong antibacterial, antifungal, and antineoplastic activities. Isolated from from the actinomycete bacterium Streptomyces nodosus subsp. asukaensis.
Physagulin B
Constituent of the famine food Physalis angulata (cutleaf ground cherry). Physagulin B is found in herbs and spices and fruits. Physagulin B is found in fruits. Physagulin B is a constituent of the famine food Physalis angulata (cutleaf ground cherry).
Farglitazar
Pentanedioic acid, 3-((((3R,5R)-3-butyl-3-ethyl-2,3,4,5-tetrahydro-7-methoxy-1,1-dioxido-5-phenyl-1,4-benzothiazepin-8-yl)methyl)amino)-
(2S)-2-[(4-Methylphenyl)sulfonylamino]-3-[[4-oxo-5-(2-piperidin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl]amino]propanoic acid
PA(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
PA(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Lipoxin A5 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0)
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
Baccharinoid B 13
Baccharene
Baccharinoid B 12
Baccharinoid B 17
Baccharinoid B 21
16-Hydroxyroridin L2
Baccharinoid B 16
[7R(S),9R,10S]-2,3-Didehydro-7-deoxo-2-deoxy-9,10-epoxy-9,10-dihydro-4-hydroxy-7-(1-hydroxyethyl)verrucarin A
Baccharinoid B 14
[2E,7R(S),8R]-2,3-Didehydro-7-deoxo-2-deoxy-4,8-dihydroxy-7-(1-hydroxyethyl)verrucarin A
methyl nomilinate|Methyl-nomilinat|Nomilinsaeure-methylester
Pyrano[4,3:4,5]azepino[1,2:1,2]pyrido[3,4-b]indole-1-carboxylic acid, 4-(beta-D-glucopyranosyloxy)-4,4a,5,6,8,9,14,14b,15,15a-decahydro-5-hydroxy-, methyl ester, (4S,4aS,5S,14bS,15aS)-
10,11-dimethoxy-1-methyl-deacetyl picraline benzoate
2-Ac,3-propanoyl-(2beta,3beta,5beta,11alpha,14beta)-2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide
4,6-dimethyl-5-O-[alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranosyl]multifidol
Gln Arg Asp Glu
His Tyr Ile Asp
7-(5-formyl-3,6-dihydroxy-7-methoxy-1-methyl-8-propan-2-ylnaphthalen-2-yl)-2,8-dihydroxy-3-methoxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
C27H35ClN4O6_2(6H)-Isoquinolineacetic acid, 7-(acetyloxy)-alpha-[3-[(aminoiminomethyl)amino]propyl]-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7,8-dihydro-7-methyl-6,8-dioxo
Farglitazar
CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5746; ORIGINAL_PRECURSOR_SCAN_NO 5743 C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5760; ORIGINAL_PRECURSOR_SCAN_NO 5756 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5717; ORIGINAL_PRECURSOR_SCAN_NO 5714 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5752; ORIGINAL_PRECURSOR_SCAN_NO 5748 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5751; ORIGINAL_PRECURSOR_SCAN_NO 5750 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5754; ORIGINAL_PRECURSOR_SCAN_NO 5753 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10453; ORIGINAL_PRECURSOR_SCAN_NO 10449 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10505; ORIGINAL_PRECURSOR_SCAN_NO 10503 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10516; ORIGINAL_PRECURSOR_SCAN_NO 10511 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10552; ORIGINAL_PRECURSOR_SCAN_NO 10548 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10569; ORIGINAL_PRECURSOR_SCAN_NO 10567 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10577; ORIGINAL_PRECURSOR_SCAN_NO 10575
Asp Glu Gln Arg
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Gln Asp Glu Arg
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Tyr Asp His Ile
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Tyr His Val Glu
Tyr Ile Asp His
Tyr Ile His Asp
Tyr Leu Asp His
Tyr Leu His Asp
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Tyr Thr Thr Tyr
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Tyr Val Cys Tyr
Tyr Val Glu His
Tyr Val His Glu
Tyr Val Tyr Cys
Tyr Tyr Ala Met
Tyr Tyr Cys Val
Tyr Tyr Met Ala
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Physagulin B
Physagulin B
Linerixibat
C78276 - Agent Affecting Digestive System or Metabolism > C177170 - Ileal Bile Acid Transport Inhibitor
7-(8-Formyl-1,7-dihydroxy-5-isopropyl-6-methoxy-3-methyl-2-naphthyl)-2,8-dihydroxy-4-isopropyl-3-methoxy-6-methyl-naphthalene-1-carbaldehyde
Pentanedioic acid, 3-((((3R,5R)-3-butyl-3-ethyl-2,3,4,5-tetrahydro-7-methoxy-1,1-dioxido-5-phenyl-1,4-benzothiazepin-8-yl)methyl)amino)-
N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
(4R,5R)-2-benzoyl-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-3-spiro[1,5-dihydro-2-benzazepine-4,4-5H-oxazole]one
N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide
methyl (1R,3S,12S,15S,19S)-18-ethenyl-19-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20,21-dioxa-4,14-diazahexacyclo[10.8.1.02,17.03,11.03,15.05,10]henicosa-5,7,9-triene-2-carboxylate
methyl (1R,3S,12S,15S,18S,19S)-18-ethenyl-19-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20,21-dioxa-4,14-diazahexacyclo[10.8.1.02,17.03,11.03,15.05,10]henicosa-5,7,9-triene-2-carboxylate
methyl (1R,3S,11R,12S,15S,18S,19S)-18-ethenyl-19-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20,21-dioxa-4,14-diazahexacyclo[10.8.1.02,17.03,11.03,15.05,10]henicosa-5,7,9-triene-2-carboxylate
9,10,17,22-tetrahydroxy-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]pentacos-1-en-16-one
(1s,4as,6s,7s,7as)-4-({[(2r,3r,4s,5r,6r)-3,4-bis(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-6,7-dihydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl (2r)-2-methylbutanoate
(21s)-13,27-dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,25,27,30(34),32,35-tridecaene
(2r,3s)-4-[(6as)-6a-methyl-3-[(1e,3s)-3-methylpent-1-en-1-yl]-6,8-dioxofuro[2,3-h]isochromen-9-yl]-3-methyl-4-oxobutan-2-yl (2r)-2-methoxy-2-phenylacetate
methyl (1s,15s,16s,17s,21s)-15-hydroxy-17-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate
methyl (1s,14r,15s,16s,20s)-14-(hydroxymethyl)-16-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
(3s)-5-[(3s)-10-hydroxy-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]-7,9-dimethoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-10-ol
(1's,2s,2'r,7'r,9'r,11'r)-2',5'-bis(hydroxymethyl)-1'-methyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl (2z,4e,6s,7s)-7-hydroxy-6-[2-(5-oxo-2h-furan-3-yl)ethoxy]octa-2,4-dienoate
(2r)-1-(2,4-dihydroxy-3,5-dimethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-2-methylbutan-1-one
[5-({4,5-dihydroxy-2-[4-(2-hydroxyethyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl 2-methylbutanoate
10-(acetyloxy)-4,7,12,13-tetrahydroxy-2-(2-hydroxypropan-2-yl)-5,9-dimethyl-15-oxatetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadec-5-en-8-yl benzoate
9,10,16,22-tetrahydroxy-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]pentacos-1-en-17-one
(1s,4as,6s,7s,7as)-6-(acetyloxy)-4-({[(2r,3r,4s,5s,6r)-3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7-hydroxy-7-methyl-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
(1s,2s,4s,6r,7s,13r,14r,16r,17s)-16-(acetyloxy)-2,6,14,17-tetramethyl-3,11-dioxo-14-[(3s)-5-oxooxolane-3-carbonyl]-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-4-yl acetate
(2r,3s)-4-[(6as)-6a-methyl-3-[(1e,3s)-3-methylpent-1-en-1-yl]-6,8-dioxofuro[2,3-h]isochromen-9-yl]-3-methyl-4-oxobutan-2-yl (2s)-2-methoxy-2-phenylacetate
(9r,10r,11r)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl (2e)-3-phenylprop-2-enoate
1,2-dehydroapateline
{"Ingredient_id": "HBIN000777","Ingredient_name": "1,2-dehydroapateline","Alias": "NA","Ingredient_formula": "C34H30N2O5","Ingredient_Smile": "CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7=NCCC8=CC(=C(O4)C=C87)O3)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4876","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3α-dihydrocadambine
{"Ingredient_id": "HBIN007940","Ingredient_name": "3\u03b1-dihydrocadambine","Alias": "3alpha-dihydrocadambine","Ingredient_formula": "C27H34N2O10","Ingredient_Smile": "COC(=O)C1=COC(C2C1CC3C4=C(CCN3CC2O)C5=CC=CC=C5N4)OC6C(C(C(C(O6)CO)O)O)O","Ingredient_weight": "546.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15059;SMIT18381","TCMID_id": "23513;5549","TCMSP_id": "NA","TCM_ID_id": "8185","PubChem_id": "162138","DrugBank_id": "NA"}
3-beta-isodihydrocadambine
{"Ingredient_id": "HBIN008273","Ingredient_name": "3-beta-isodihydrocadambine","Alias": "3beta-isodihydrocadambine; 3\u03b2-isodihydrocadambine","Ingredient_formula": "C27H34N2O10","Ingredient_Smile": "COC(=O)C1=COC(C2C1CC3C4=C(CCN3C2CO)C5=CC=CC=C5N4)OC6C(C(C(C(O6)CO)O)O)O","Ingredient_weight": "546.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT18369;SMIT16026","TCMID_id": "23461;31346;11374","TCMSP_id": "NA","TCM_ID_id": "8174","PubChem_id": "188431","DrugBank_id": "NA"}
7,13-dideaceyl-9,10-debenzoyltaxchinin c
{"Ingredient_id": "HBIN012869","Ingredient_name": "7,13-dideaceyl-9,10-debenzoyltaxchinin c","Alias": "NA","Ingredient_formula": "C29H38O10","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C2(CC1O)C(C)(C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5459","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}