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CHEBI:185807 - Androechin

ChEBI IDCHEBI:185807
ChEBI NameAndroechin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O10
Net Charge0
Average Mass448.424
Monoisotopic Mass448.13695
SMILESCOc1cc(O)c(C(=O)/C=C/c2ccccc2O)c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c1
InChIInChI=1S/C22H24O10/c1-30-12-8-15(26)18(14(25)7-6-11-4-2-3-5-13(11)24)16(9-12)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-6+/t17?,19-,20+,21?,22-/m1/s1
InChIKeyDBDVNEPYCHFXLY-FDWXWSKHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Androechin (CHEBI:185807) is a flavonoids (CHEBI:72544)
Androechin (CHEBI:185807) is a glycoside (CHEBI:24400)
IUPAC Name 
(E)-1-[2-hydroxy-4-methoxy-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(2-hydroxyphenyl)prop-2-en-1-one
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24845949ChemSpider