CHEBI:196401 - Benthamitin

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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 Benthamitin
ChEBI ID CHEBI:196401
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24O9
Net Charge 0
Average Mass 432.425
Monoisotopic Mass 432.14203
InChI InChI=1S/C22H24O9/c1-24-12-9-14(26-3)13(25-2)8-11(12)19-22(30-7)18(23)17-15(31-19)10-16(27-4)20(28-5)21(17)29-6/h8-10H,1-7H3
InChIKey IMHDYMBDJDIPRX-UHFFFAOYSA-N
SMILES O1C=2C(=C(OC)C(OC)=C(OC)C2)C(=O)C(OC)=C1C=3C(OC)=CC(OC)=C(OC)C3
ChEBI Ontology
Outgoing Benthamitin (CHEBI:196401) is a ether (CHEBI:25698)
Benthamitin (CHEBI:196401) is a flavonoids (CHEBI:72544)
IUPAC Name
3,5,6,7-tetramethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
Manual Xrefs Databases
24845621 ChemSpider
LMPK12113064 LIPID MAPS
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