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CHEBI:139452 - (3Z)-4-[(1S)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl β-D-glucopyranoside

ChEBI IDCHEBI:139452
ChEBI Name(3Z)-4-[(1S)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl β-D-glucopyranoside
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ASCII Name(3Z)-4-[(1S)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl beta-D-glucopyranoside
Last Modified16 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC19H30O8
Net Charge0
Average Mass386.441
Monoisotopic Mass386.19407
SMILESCC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11?,13-,14-,15+,16-,17-,19-/m1/s1
InChIKeySWYRVCGNMNAFEK-CLCVOTHJSA-N
ChEBI Ontology
Outgoing Relation(s)
(3Z)-4-[(1S)-1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl β-D-glucopyranoside (CHEBI:139452) is a O-acyl carbohydrate (CHEBI:52782)
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