CHEBI:81171 - Chikusetsusaponin Ia

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ChEBI Name Chikusetsusaponin Ia
ChEBI ID CHEBI:81171
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C41H70O12
Net Charge 0
Average Mass 754.98730
Monoisotopic Mass 754.48673
InChI InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,49)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(37(3,4)26(38)12-17-39(27,40)6)53-36-34(48)32(46)31(45)25(52-36)20-51-35-33(47)30(44)24(43)19-50-35/h10,22-36,42-49H,9,11-20H2,1-8H3
InChIKey DGSOBIYFLJXVQZ-UHFFFAOYSA-N
SMILES CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)C(C)(C)C3CCC21C
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 Chikusetsusaponin Ia (CHEBI:81171) is a steroid saponin (CHEBI:61655)
Manual Xrefs Databases
C17544 KEGG COMPOUND
HMDB0034994 HMDB
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