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CHEBI:192027 - Allivicin

ChEBI IDCHEBI:192027
ChEBI NameAllivicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O16
Net Charge0
Average Mass610.521
Monoisotopic Mass610.15338
SMILESO=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)oc2cc(O)cc(O)c12
InChIInChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-3-1-9(2-4-11)24-25(19(34)16-12(31)5-10(30)6-13(16)40-24)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2
InChIKeyCRHCCDOCWGWLSH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Allivicin (CHEBI:192027) is a flavonoids (CHEBI:72544)
Allivicin (CHEBI:192027) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Manual XrefsDatabases
HMDB0037431HMDB