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CHEBI:191422 - Precarthamin

ChEBI IDCHEBI:191422
ChEBI NamePrecarthamin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O11
Net Charge0
Average Mass452.412
Monoisotopic Mass452.13186
SMILESOCC1OC(Oc2c(O)cc(O)c(C(O)/C=C/c3ccc(O)cc3)c2O)C(O)C(O)C1O
InChIInChI=1S/C21H24O11/c22-8-14-16(27)18(29)19(30)21(31-14)32-20-13(26)7-12(25)15(17(20)28)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,11,14,16,18-19,21-30H,8H2/b6-3+
InChIKeyYIJNZIXWHVONBS-ZZXKWVIFSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
Precarthamin (CHEBI:191422) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(hydroxymethyl)-6-[2,4,6-trihydroxy-3-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enyl]phenoxy]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0031967HMDB