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CHEBI:81118 - Osthenol-7-O-beta-D-gentiobioside

ChEBI IDCHEBI:81118
ChEBI NameOsthenol-7-O-beta-D-gentiobioside
Stars
DownloadsMolfile
FormulaC26H34O13
Net Charge0
Average Mass554.545
Monoisotopic Mass554.19994
SMILESCC(C)=CCc1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc2ccc(=O)oc12
InChIInChI=1S/C26H34O13/c1-11(2)3-6-13-14(7-4-12-5-8-17(28)39-24(12)13)36-26-23(34)21(32)19(30)16(38-26)10-35-25-22(33)20(31)18(29)15(9-27)37-25/h3-5,7-8,15-16,18-23,25-27,29-34H,6,9-10H2,1-2H3/t15-,16-,18-,19-,20+,21+,22-,23-,25-,26-/m1/s1
InChIKeyLCNBLLDTRINYAW-NXEOTYAVSA-N
ChEBI Ontology
Outgoing Relation(s)
Osthenol-7-O-beta-D-gentiobioside (CHEBI:81118) is a coumarins (CHEBI:23403)
Osthenol-7-O-beta-D-gentiobioside (CHEBI:81118) is a glycoside (CHEBI:24400)
Manual XrefsDatabases
C17476KEGG COMPOUND