CHEBI:34668 - Dehydrosoyasaponin I

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ChEBI Name Dehydrosoyasaponin I
ChEBI ID CHEBI:34668
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C48H76O18
C48H76O18
Net Charge 0
Average Mass 941.108
Monoisotopic Mass 940.50317
InChI InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
InChIKey CROUPKILZUPLQA-ITVSDQETSA-N
SMILES [C@@H]1([C@H](O[C@H]2[C@H](O[C@H]3[C@@H]([C@@H]([C@@H](O)[C@@H](O3)C)O)O)[C@H]([C@@H](O)[C@H](O2)CO)O)[C@H]([C@H](O)[C@H](O1)C(O)=O)O)O[C@@H]4[C@@]([C@]5([C@@]([C@@]6([C@]([C@]7(C([C@]8([C@@](C(CC(C8)(C)C)=O)(C)CC7)[H])=CC6)C)(CC5)C)[H])(CC4)C)[H])(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 Dehydrosoyasaponin I (CHEBI:34668) is a triterpenoid saponin (CHEBI:61778)
Synonyms Sources
Dehydrosoyasaponin I KEGG COMPOUND
DHS-I KEGG COMPOUND
Manual Xrefs Databases
C00030105 KNApSAcK
C13837 KEGG COMPOUND
View more database links
Registry Number Type Source
117210-14-7 CAS Registry Number KEGG COMPOUND
Last Modified
19 February 2018