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CHEBI:168991 - 1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfate)

ChEBI IDCHEBI:168991
ChEBI Name1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfate)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O11S
Net Charge0
Average Mass406.365
Monoisotopic Mass406.05698
SMILESO=C(/C=C/c1ccc(O)cc1)OC1OC(COS(=O)(=O)O)C(O)C(O)C1O
InChIInChI=1S/C15H18O11S/c16-9-4-1-8(2-5-9)3-6-11(17)26-15-14(20)13(19)12(18)10(25-15)7-24-27(21,22)23/h1-6,10,12-16,18-20H,7H2,(H,21,22,23)/b6-3+
InChIKeyOMFHKRCSRGUKRK-ZZXKWVIFSA-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)
1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfate) (CHEBI:168991) has functional parent hydroxycinnamic acid (CHEBI:24689)
1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfate) (CHEBI:168991) is a glycoside (CHEBI:24400)
IUPAC Name 
[3,4,5-trihydroxy-6-(sulooxymethyl)oxan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0041174HMDB