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CHEBI:139451 - (3E)-1-hydroxy-4-[(1R)-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl β-D-glucopyranoside

ChEBI IDCHEBI:139451
ChEBI Name(3E)-1-hydroxy-4-[(1R)-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl β-D-glucopyranoside
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ASCII Name(3E)-1-hydroxy-4-[(1R)-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@H]1/C=C/C(CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H30O8/c1-10-6-11(22)7-19(2,3)13(10)5-4-12(8-20)26-18-17(25)16(24)15(23)14(9-21)27-18/h4-6,12-18,20-21,23-25H,7-9H2,1-3H3/b5-4+/t12?,13-,14+,15+,16-,17+,18+/m0/s1
InChIKeyPYYCXUBJCCEGKB-SNPWQJEQSA-N
ChEBI Ontology
Outgoing Relation(s)
(3E)-1-hydroxy-4-[(1R)-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl β-D-glucopyranoside (CHEBI:139451) is a O-acyl carbohydrate (CHEBI:52782)
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