CHEBI:8919 - Rutaevin

ChEBI IDCHEBI:8919
ChEBI NameRutaevin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H30O9
Net Charge0
Average Mass486.517
Monoisotopic Mass486.18898
SMILES[H][C@]12CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]1(C)[C@@H](O)C(=O)[C@@]1([H])C(C)(C)O[C@@]3([H])CC(=O)OC[C@@]213
InChIInChI=1S/C26H30O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,17-20,29H,5,7,9,11H2,1-4H3/t13-,14-,17-,18-,19-,20+,23-,24-,25-,26+/m0/s1
InChIKeyYZMKFMIZNSOPSN-XGTMLCIVSA-N
ChEBI Ontology
Outgoing Relation(s)
Rutaevin (CHEBI:8919) is a steroid lactone (CHEBI:26766)
Synonym  Source
RutaevinKEGG COMPOUND
Manual XrefsDatabases
C08779KEGG COMPOUND
C00003727KNApSAcK
Registry NumbersSources
CAS:33237-37-5KEGG COMPOUND