CHEBI:81083 - Kanokoside C

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ChEBI Name Kanokoside C
ChEBI ID CHEBI:81083
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H42O17
Net Charge 0
Average Mass 638.61220
Monoisotopic Mass 638.24220
InChI InChI=1S/C27H42O17/c1-9(2)3-13(30)43-24-15-14(22-23(44-22)27(15,37)8-29)10(5-38-24)6-39-25-21(36)19(34)17(32)12(42-25)7-40-26-20(35)18(33)16(31)11(4-28)41-26/h5,9,11-12,14-26,28-29,31-37H,3-4,6-8H2,1-2H3/t11-,12-,14-,15-,16-,17-,18+,19+,20-,21-,22+,23+,24+,25-,26-,27-/m1/s1
InChIKey ZTHFWSGQXKJHJD-WWSDMLAVSA-N
SMILES CC(C)CC(=O)O[C@@H]1OC=C(CO[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)[C@H]2[C@@H]3O[C@@H]3[C@@](O)(CO)[C@@H]12
ChEBI Ontology
Outgoing Kanokoside C (CHEBI:81083) is a glycoside (CHEBI:24400)
Manual Xref Database
C17430 KEGG COMPOUND
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