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CHEBI:138832 - Atractyloside A

Default Structure
ChEBI IDCHEBI:138832
ChEBI NameAtractyloside A
Stars
Last Modified25 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC21H36O10
Net Charge0
Average Mass448.509
Monoisotopic Mass448.23085
SMILES[H][C@]12CC(=O)[C@@](C)(O)[C@]1([H])C[C@H](C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@]2(O)CO
InChIInChI=1S/C21H36O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-13,15-18,22-23,25-29H,4-9H2,1-3H3/t10-,11-,12+,13-,15-,16+,17-,18+,20+,21+/m1/s1
InChIKeyQNBLVYVBWDIWDM-BSLJOXIBSA-N
ChEBI Ontology
Outgoing Relation(s)
Atractyloside A (CHEBI:138832) is a terpene glycoside (CHEBI:61777)
Manual XrefsDatabases
C17858KEGG COMPOUND