CHEBI:176254 - Soyasapogenol B 24-O-b-D-glucoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Soyasapogenol B 24-O-b-D-glucoside
ChEBI ID CHEBI:176254
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C36H60O8
Net Charge 0
Average Mass 620.868
Monoisotopic Mass 620.42882
InChI InChI=1S/C36H60O8/c1-31(2)16-21-20-8-9-24-33(4)12-11-25(38)34(5,19-43-30-29(42)28(41)27(40)22(18-37)44-30)23(33)10-13-36(24,7)35(20,6)15-14-32(21,3)26(39)17-31/h8,21-30,37-42H,9-19H2,1-7H3
InChIKey YTOCWWQIMKHRPX-UHFFFAOYSA-N
SMILES OC1C(C2C(C3C(C4(C(C5C(CC4)(C(O)CC(C5)(C)C)C)=CC3)C)(CC2)C)(CC1)C)(COC6OC(C(O)C(O)C6O)CO)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
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ChEBI Ontology
Outgoing Soyasapogenol B 24-O-b-D-glucoside (CHEBI:176254) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
2-[(3,9-dihydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xref Database
HMDB0039520 HMDB
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