CHEBI:4770 - Eleganin

ChEBI IDCHEBI:4770
ChEBI NameEleganin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H26O9
Net Charge0
Average Mass434.441
Monoisotopic Mass434.15768
SMILES[H][C@]12O[C@]1(C)C[C@@H](OC(=O)/C(C)=C\COC(C)=O)[C@@]1([H])C(=C)C(=O)O[C@]1([H])/C=C(/CO)[C@]1([H])O[C@]21[H]
InChIInChI=1S/C22H26O9/c1-10(5-6-27-12(3)24)20(25)29-15-8-22(4)19(31-22)18-17(30-18)13(9-23)7-14-16(15)11(2)21(26)28-14/h5,7,14-19,23H,2,6,8-9H2,1,3-4H3/b10-5-,13-7-/t14-,15-,16+,17+,18+,19-,22-/m1/s1
InChIKeyRPCAPUZHOOCZMO-ALPYKIIRSA-N
ChEBI Ontology
Outgoing Relation(s)
Eleganin (CHEBI:4770) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
EleganinKEGG COMPOUND
Manual XrefsDatabases
C09401KEGG COMPOUND
C00003253KNApSAcK
Registry NumbersSources
CAS:57498-84-7KEGG COMPOUND