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CHEBI:168640 - Glucosyl 6-hydroxy-2,6-dimethyl-2E,7-octadienoate

ChEBI IDCHEBI:168640
ChEBI NameGlucosyl 6-hydroxy-2,6-dimethyl-2E,7-octadienoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O8
Net Charge0
Average Mass346.376
Monoisotopic Mass346.16277
SMILESC=CC(C)(O)CC/C=C(/C)C(=O)OC1OC(CO)C(O)C(O)C1O
WURCSWURCS=2.0/1,1,0/[axxxxh-1x_1-5_1*OCC=^ZCCCC^XC=C/8C/8O/4C/3=O]/1/
InChIInChI=1S/C16H26O8/c1-4-16(3,22)7-5-6-9(2)14(21)24-15-13(20)12(19)11(18)10(8-17)23-15/h4,6,10-13,15,17-20,22H,1,5,7-8H2,2-3H3/b9-6-
InChIKeyIVWJMPAYYVHQPT-TWGQIWQCSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Glucosyl 6-hydroxy-2,6-dimethyl-2E,7-octadienoate (CHEBI:168640) is a hexose (CHEBI:18133)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2Z)-6-hydroxy-2,6-dimethylocta-2,7-dienoate
Manual XrefsDatabases
HMDB0035822HMDB