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CHEBI:168662 - Glycerol trisinapate

ChEBI IDCHEBI:168662
ChEBI NameGlycerol trisinapate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H38O15
Net Charge0
Average Mass710.685
Monoisotopic Mass710.22107
SMILESCOc1cc(/C=C/C(=O)OCC(COC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)OC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
InChIInChI=1S/C36H38O15/c1-43-25-13-21(14-26(44-2)34(25)40)7-10-31(37)49-19-24(51-33(39)12-9-23-17-29(47-5)36(42)30(18-23)48-6)20-50-32(38)11-8-22-15-27(45-3)35(41)28(16-22)46-4/h7-18,24,40-42H,19-20H2,1-6H3/b10-7+,11-8+,12-9+
InChIKeyFEUWBELGELLWPV-SRDSWEMOSA-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)
Glycerol trisinapate (CHEBI:168662) is a triglyceride (CHEBI:17855)
IUPAC Name 
2,3-bis[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy]propyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Manual XrefsDatabases
4476503ChemSpider
HMDB0036353HMDB