CHEBI:193442 - 2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan

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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 2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan
ChEBI ID CHEBI:193442
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H16O5
Net Charge 0
Average Mass 300.310
Monoisotopic Mass 300.09977
InChI InChI=1S/C17H16O5/c1-19-11-4-2-10-3-5-14(22-15(10)6-11)12-7-16-17(8-13(12)18)21-9-20-16/h2,4,6-8,14,18H,3,5,9H2,1H3/t14-/m0/s1
InChIKey SEXFFYIXMCVNNG-AWEZNQCLSA-N
SMILES O1[C@@](CCC2=C1C=C(OC)C=C2)(C3=CC=4OCOC4C=C3O)[H]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan (CHEBI:193442) is a ether (CHEBI:25698)
2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan (CHEBI:193442) is a flavonoids (CHEBI:72544)
IUPAC Name
6-[(2S)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]-1,3-benzodioxol-5-ol
Manual Xrefs Databases
24842648 ChemSpider
LMPK12020252 LIPID MAPS
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