CHEBI:139451 - (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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ChEBI Name (3E)-1-hydroxy-4-[(1R)-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl β-D-glucopyranoside
ChEBI ID CHEBI:139451
ChEBI ASCII Name (3E)-1-hydroxy-4-[(1R)-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-buten-2-yl beta-D-glucopyranoside
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H30O8
Net Charge 0
Average Mass 386.437
Monoisotopic Mass 386.19407
InChI InChI=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
InChIKey PYYCXUBJCCEGKB-SNPWQJEQSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(\C=C\[C@@H]2C(CC(=O)C=C2C)(C)C)CO)CO
ChEBI Ontology
Outgoing (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)
Manual Xref Database
17240409 ChemSpider
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Last Modified
16 January 2018