EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175978 - Diosbulbinoside F

ChEBI IDCHEBI:175978
ChEBI NameDiosbulbinoside F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O12
Net Charge0
Average Mass538.546
Monoisotopic Mass538.20503
SMILES[H][C@]12CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C3[C@H](C(=O)OC)C[C@H](O)C[C@@]3([H])[C@]1(C)C[C@@H](c1ccoc1)OC2=O
InChIInChI=1S/C26H34O12/c1-26-8-17(11-3-4-35-10-11)36-24(33)15(26)7-16(19-13(23(32)34-2)5-12(28)6-14(19)26)37-25-22(31)21(30)20(29)18(9-27)38-25/h3-4,10,12-15,17-18,20-22,25,27-31H,5-9H2,1-2H3/t12-,13+,14+,15+,17-,18+,20+,21-,22+,25+,26-/m0/s1
InChIKeySVXOFPLAAYAGIG-NDDGLTBUSA-N
ChEBI Ontology
Outgoing Relation(s)
Diosbulbinoside F (CHEBI:175978) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
methyl (2S,4aS,7R,9R,10aS,10bS)-2-(uran-3-yl)-9-hydroxy-10b-methyl-4-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4a,5,7,8,9,10,10a-octahydro-1H-benzo[]isochromene-7-carboxylate
Manual XrefsDatabases
158163ChemSpider
Registry NumbersSources
CAS:66756-58-9ChemIDplus