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CHEBI:180734 - Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate

ChEBI IDCHEBI:180734
ChEBI NameGentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O13
Net Charge0
Average Mass478.447
Monoisotopic Mass478.16864
SMILESCC(=O)/C=C/C=C(\C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C20H30O13/c1-8(4-3-5-9(2)22)18(29)33-20-17(28)15(26)13(24)11(32-20)7-30-19-16(27)14(25)12(23)10(6-21)31-19/h3-5,10-17,19-21,23-28H,6-7H2,1-2H3/b5-3+,8-4+
InChIKeyYFKTUCLAEHYWLL-MSLMYCKWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate (CHEBI:180734) is a glycoside (CHEBI:24400)
IUPAC Name 
[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E)-2-methyl-6-oxohepta-2,4-dienoate
Manual XrefsDatabases
HMDB0032134HMDB