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CHEBI:141407 - (3E)-4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yl β-D-glucopyranoside

ChEBI IDCHEBI:141407
ChEBI Name(3E)-4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yl β-D-glucopyranoside
Stars
ASCII Name(3E)-4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yl beta-D-glucopyranoside
Last Modified17 July 2018
Submittermwilliams
DownloadsMolfile
FormulaC19H30O7
Net Charge0
Average Mass370.442
Monoisotopic Mass370.19915
SMILESCC1=CC(=O)CC(C)(C)C1/C=C/C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+/t11?,13?,14-,15-,16+,17-,18-/m1/s1
InChIKeySZOPSAFLRCYJCX-SSRSETHHSA-N
ChEBI Ontology
Outgoing Relation(s)
(3E)-4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yl β-D-glucopyranoside (CHEBI:141407) is a β-D-glucoside (CHEBI:22798)
Synonym  Source
3,5,5-trimethyl-4-[(E)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-oneSUBMITTER
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