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CHEBI:230807 - methylhildgardtol a

Default Structure
ChEBI IDCHEBI:230807
ChEBI Namemethylhildgardtol a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O4
Net Charge0
Average Mass352.430
Monoisotopic Mass352.16746
SMILESC=C(C)C1Cc2c(cc(OC)c3c2O[C@H](c2ccccc2)C[C@H]3OC)O1
InChIInChI=1S/C22H24O4/c1-13(2)16-10-15-18(25-16)12-20(24-4)21-19(23-3)11-17(26-22(15)21)14-8-6-5-7-9-14/h5-9,12,16-17,19H,1,10-11H2,2-4H3/t16?,17-,19+/m0/s1
InChIKeyKCRBILJKGXMJLI-WFTITGEASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
methylhildgardtol a (CHEBI:230807) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(2S,4R)-4,5-dimethoxy-2-phenyl-8-prop-1-en-2-yl-3,4,8,9-tetrahydro-2H-uro[2,3-h]chromene
Manual XrefsDatabases
10290101ChemSpider
LMPK12020159LIPID MAPS