CHEBI:181062 - [(2E,6E)-1-Oxo-8-hydroxy-2,6-dimethylocta-2,6-dien-1-yl]beta-D-glucopyranoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 [(2E,6E)-1-Oxo-8-hydroxy-2,6-dimethylocta-2,6-dien-1-yl]beta-D-glucopyranoside
ChEBI ID CHEBI:181062
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H26O8
Net Charge 0
Average Mass 346.376
Monoisotopic Mass 346.16277
InChI InChI=1S/C16H26O8/c1-9(6-7-17)4-3-5-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h5-6,11-14,16-21H,3-4,7-8H2,1-2H3/b9-6+,10-5+/t11-,12-,13+,14-,16+/m1/s1
InChIKey QZIOPOIUZGGXKI-KOYXEPTDSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C(=C/CC/C(/C)=C/CO)/C)CO
ChEBI Ontology
Outgoing [(2E,6E)-1-Oxo-8-hydroxy-2,6-dimethylocta-2,6-dien-1-yl]beta-D-glucopyranoside (CHEBI:181062) is a terpene glycoside (CHEBI:61777)
IUPAC Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate
Manual Xref Database
10260559 ChemSpider
View more database links