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CHEBI:168771 - 3,4,5-trihydroxy-6-[(2-methyl-3-phenyloxiran-2-yl)methoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:168771
ChEBI Name3,4,5-trihydroxy-6-[(2-methyl-3-phenyloxiran-2-yl)methoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O8
Net Charge0
Average Mass340.328
Monoisotopic Mass340.11582
SMILESCC1(COC2OC(C(=O)O)C(O)C(O)C2O)OC1c1ccccc1
InChIInChI=1S/C16H20O8/c1-16(13(24-16)8-5-3-2-4-6-8)7-22-15-11(19)9(17)10(18)12(23-15)14(20)21/h2-6,9-13,15,17-19H,7H2,1H3,(H,20,21)
InChIKeyTVHVBTSMUPQRGD-UHFFFAOYSA-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)
3,4,5-trihydroxy-6-[(2-methyl-3-phenyloxiran-2-yl)methoxy]oxane-2-carboxylic acid (CHEBI:168771) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-[(2-methyl-3-phenyloxiran-2-yl)methoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0133653HMDB