CHEBI:6697 - Mascaroside

ChEBI IDCHEBI:6697
ChEBI NameMascaroside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H36O11
Net Charge0
Average Mass524.563
Monoisotopic Mass524.22576
SMILES[H][C@@]12[C@@H](O)C[C@@H]3C[C@@]1(CC[C@]1([H])c4ccoc4C(=O)C[C@@]21C)[C@@H](O)[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C26H36O11/c1-24-8-15(29)20-12(3-5-35-20)13(24)2-4-25-7-11(6-14(28)21(24)25)26(34,23(25)33)10-36-22-19(32)18(31)17(30)16(9-27)37-22/h3,5,11,13-14,16-19,21-23,27-28,30-34H,2,4,6-10H2,1H3/t11-,13-,14+,16-,17-,18+,19-,21+,22-,23-,24-,25-,26+/m1/s1
InChIKeySJBDVPKAXKLGPV-UKNYEQEFSA-N
ChEBI Ontology
Outgoing Relation(s)
Mascaroside (CHEBI:6697) is a naphthofuran (CHEBI:39270)
Synonym  Source
MascarosideKEGG COMPOUND
Manual XrefsDatabases
C09132KEGG COMPOUND
C00003453KNApSAcK
Registry NumbersSources
CAS:55465-97-9KEGG COMPOUND