CHEBI:3192 - Bruceoside A

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ChEBI Name Bruceoside A
ChEBI ID CHEBI:3192
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H42O16
Net Charge 0
Average Mass 682.668
Monoisotopic Mass 682.24729
InChI InChI=1S/C32H42O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,8,12-13,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3/t12-,13-,15+,16+,19+,20-,21+,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1
InChIKey AKSGLPBROCFVSE-TUHDNREHSA-N
SMILES COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]3C[C@H]1[C@H](C)C(=O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Bruceoside A (CHEBI:3192) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
Bruceoside A KEGG COMPOUND
Manual Xrefs Databases
C00003703 KNApSAcK
C08753 KEGG COMPOUND
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Registry Number Type Source
63306-30-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014