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CHEBI:185972 - Sinaticin

ChEBI IDCHEBI:185972
ChEBI NameSinaticin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H18O8
Net Charge0
Average Mass434.400
Monoisotopic Mass434.10017
SMILESO=c1cc(-c2ccc3c(c2)O[C@@H](CO)[C@H](c2ccc(O)cc2)O3)oc2cc(O)cc(O)c12
InChIInChI=1S/C24H18O8/c25-11-22-24(12-1-4-14(26)5-2-12)32-18-6-3-13(7-20(18)31-22)19-10-17(29)23-16(28)8-15(27)9-21(23)30-19/h1-10,22,24-28H,11H2/t22-,24-/m0/s1
InChIKeyQGMULYBZWIWTIF-UPVQGACJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Sinaticin (CHEBI:185972) is a flavonolignan (CHEBI:72709)
IUPAC Name 
5,7-dihydroxy-2-[(2S,3S)-3-(hydroxymethyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
Manual XrefsDatabases
LMPK12110729LIPID MAPS
8608468ChemSpider