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CHEBI:4490 - Dianoside A

ChEBI IDCHEBI:4490
ChEBI NameDianoside A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC42H66O15
Net Charge0
Average Mass810.975
Monoisotopic Mass810.44017
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)C(=O)O
InChIInChI=1S/C42H66O15/c1-37(2)13-15-42(36(53)57-34-32(50)30(48)28(46)23(19-44)55-34)16-14-39(4)20(21(42)17-37)7-8-24-38(3)11-10-26(41(6,35(51)52)25(38)9-12-40(24,39)5)56-33-31(49)29(47)27(45)22(18-43)54-33/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22+,23+,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34-,38+,39+,40+,41-,42-/m0/s1
InChIKeyYYXPXYDYZRXSJH-BEVNDZSHSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Dianoside A (CHEBI:4490) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
Dianoside AKEGG COMPOUND
Manual XrefsDatabases
C08941KEGG COMPOUND
C00003515KNApSAcK
Registry NumbersSources
CAS:91652-87-8KEGG COMPOUND