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CHEBI:186719 - Dalpaniculin

ChEBI IDCHEBI:186719
ChEBI NameDalpaniculin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O13
Net Charge0
Average Mass536.486
Monoisotopic Mass536.15299
SMILES[H][C@@]1(c2c(O)c(OC)c(O)c3c(=O)c(-c4cc(OC)c(OC)cc4OC)coc23)OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C25H28O13/c1-33-11-6-13(35-3)12(34-2)5-9(11)10-8-37-23-15(17(10)27)19(29)25(36-4)20(30)16(23)24-22(32)21(31)18(28)14(7-26)38-24/h5-6,8,14,18,21-22,24,26,28-32H,7H2,1-4H3/t14?,18-,21+,22?,24+/m1/s1
InChIKeyWEXHTLNFLWZFMD-OLSOVNKXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Dalpaniculin (CHEBI:186719) is a C-glycosyl compound (CHEBI:20857)
Dalpaniculin (CHEBI:186719) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
5,7-dihydroxy-6-methoxy-8-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(2,4,5-trimethoxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12050421LIPID MAPS
24842883ChemSpider