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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (3E)-4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yl β-D-glucopyranoside
ChEBI ID CHEBI:141407
ChEBI ASCII Name (3E)-4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yl beta-D-glucopyranoside
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C19H30O7
Net Charge 0
Average Mass 370.438
Monoisotopic Mass 370.19915
InChI InChI=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
InChIKey SZOPSAFLRCYJCX-SSRSETHHSA-N
SMILES O[C@H]1[C@H](O)[C@@H](O)[C@H](OC(\C=C\C2C(=CC(CC2(C)C)=O)C)C)O[C@@H]1CO
ChEBI Ontology
Outgoing (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-one SUBMITTER
Manual Xref Database
22912820 ChemSpider
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Last Modified
17 July 2018