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CHEBI:167995 - Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate

ChEBI IDCHEBI:167995
ChEBI NameGlucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O9
Net Charge0
Average Mass432.510
Monoisotopic Mass432.23593
SMILESC/C(=C\C(=O)OC1OC(CO)C(O)C(O)C1O)CC/C=C(\C)CCC(O)C(C)(C)O
InChIInChI=1S/C21H36O9/c1-12(8-9-15(23)21(3,4)28)6-5-7-13(2)10-16(24)30-20-19(27)18(26)17(25)14(11-22)29-20/h6,10,14-15,17-20,22-23,25-28H,5,7-9,11H2,1-4H3/b12-6+,13-10+
InChIKeyMSRVZJWXQUEINS-WAAHFECUSA-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 (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate (CHEBI:167995) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoate
Manual XrefsDatabases
HMDB0037823HMDB