CHEBI:81081 - Kanokoside A

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ChEBI Name Kanokoside A
ChEBI ID CHEBI:81081
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H32O12
Net Charge 0
Average Mass 476.47160
Monoisotopic Mass 476.18938
InChI InChI=1S/C21H32O12/c1-8(2)3-11(24)32-19-13-12(17-18(33-17)21(13,28)7-23)9(5-29-19)6-30-20-16(27)15(26)14(25)10(4-22)31-20/h5,8,10,12-20,22-23,25-28H,3-4,6-7H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18+,19+,20-,21-/m1/s1
InChIKey CHSDMOZSQFIUGK-MZHNZBIYSA-N
SMILES CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]3O[C@@H]3[C@@](O)(CO)[C@@H]12
ChEBI Ontology
Outgoing Kanokoside A (CHEBI:81081) is a glycoside (CHEBI:24400)
Manual Xref Database
C17428 KEGG COMPOUND
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