CHEBI:173267 - 3',4'-Methylenedioxy-5,7-dimethylepicatechin

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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 3',4'-Methylenedioxy-5,7-dimethylepicatechin
ChEBI ID CHEBI:173267
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H18O6
Net Charge 0
Average Mass 330.336
Monoisotopic Mass 330.11034
InChI InChI=1S/C18H18O6/c1-20-11-6-15(21-2)12-8-13(19)18(24-16(12)7-11)10-3-4-14-17(5-10)23-9-22-14/h3-7,13,18-19H,8-9H2,1-2H3
InChIKey MMKQEVQTCAAXTI-UHFFFAOYSA-N
SMILES O1C(C(O)CC2=C1C=C(OC)C=C2OC)C3=CC=4OCOC4C=C3
ChEBI Ontology
Outgoing 3',4'-Methylenedioxy-5,7-dimethylepicatechin (CHEBI:173267) is a catechin (CHEBI:23053)
IUPAC Name
2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
Manual Xrefs Databases
29365110 ChemSpider
HMDB0037955 HMDB
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