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CHEBI:186042 - Dalpanitin

ChEBI IDCHEBI:186042
ChEBI NameDalpanitin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O11
Net Charge0
Average Mass462.407
Monoisotopic Mass462.11621
SMILES[H][C@@]1(c2c(O)cc(O)c3c(=O)c(-c4ccc(O)c(OC)c4)coc23)OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C22H22O11/c1-31-13-4-8(2-3-10(13)24)9-7-32-21-15(17(9)27)11(25)5-12(26)16(21)22-20(30)19(29)18(28)14(6-23)33-22/h2-5,7,14,18-20,22-26,28-30H,6H2,1H3/t14?,18-,19+,20?,22+/m1/s1
InChIKeyGSFDOOHGKOHDEL-SQCFGUMQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Dalpanitin (CHEBI:186042) is a C-glycosyl compound (CHEBI:20857)
Dalpanitin (CHEBI:186042) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-8-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Manual XrefsDatabases
LMPK12050253LIPID MAPS
24842798ChemSpider