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CHEBI:156174 - Cynaratriol

ChEBI IDCHEBI:156174
ChEBI NameCynaratriol
Stars
Submittermwilliams
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILES[H][C@@]12CCC(=C)[C@]3([H])C[C@H](O)[C@@H](C)[C@]3([H])[C@@]1([H])OC(=O)[C@]2(O)CO
InChIInChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3/t8-,9+,10-,11+,12+,13+,15+/m1/s1
InChIKeyOHBHGGYGWZIWCX-UOHBJPFUSA-N
ChEBI Ontology
Outgoing Relation(s)
Cynaratriol (CHEBI:156174) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(3R,3aR,6aR,8S,9S,9aR,9bR)-3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[4,5-b]uran-2-one