CHEBI:10092 - Yiamoloside B

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ChEBI Name Yiamoloside B
ChEBI ID CHEBI:10092
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C43H68O15
Net Charge 0
Average Mass 824.993
Monoisotopic Mass 824.45582
InChI InChI=1S/C43H68O15/c1-38(2)25-10-13-42(6)26(9-8-21-22-18-39(3,37(53)54-7)14-16-43(22,36(51)52)17-15-41(21,42)5)40(25,4)12-11-27(38)57-34-32(50)30(48)33(24(20-45)56-34)58-35-31(49)29(47)28(46)23(19-44)55-35/h8,22-35,44-50H,9-20H2,1-7H3,(H,51,52)/t22-,23+,24+,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,35-,39-,40-,41+,42+,43-/m0/s1
InChIKey IDTIOCYBMWJUGJ-JEEHKKCPSA-N
SMILES COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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 Yiamoloside B (CHEBI:10092) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
Yiamoloside B KEGG COMPOUND
Manual Xrefs Databases
C00003560 KNApSAcK
C08990 KEGG COMPOUND
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Registry Number Type Source
80311-28-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014