CHEBI:230807 - methylhildgardtol a

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name methylhildgardtol a
ChEBI ID CHEBI:230807
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24O4
Net Charge 0
Average Mass 352.430
Monoisotopic Mass 352.16746
InChI InChI=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
InChIKey KCRBILJKGXMJLI-WFTITGEASA-N
SMILES O1C=2C([C@H](OC)C[C@H]1C3=CC=CC=C3)=C(OC)C=C4OC(CC24)C(C)=C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
10290101 ChemSpider
LMPK12020159 LIPID MAPS
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