CHEBI:176100 - 3-Methoxynobiletin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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-Methoxynobiletin
ChEBI ID CHEBI:176100
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/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3
InChIKey SSXJHQZOHUYEGD-UHFFFAOYSA-N
SMILES O1C2=C(C(OC)=C(OC)C(OC)=C2OC)C(=O)C(OC)=C1C3=CC(OC)=C(OC)C=C3
ChEBI Ontology
Outgoing 3-Methoxynobiletin (CHEBI:176100) is a ether (CHEBI:25698)
3-Methoxynobiletin (CHEBI:176100) is a flavonoids (CHEBI:72544)
IUPAC Name
2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxychromen-4-one
Manual Xrefs Databases
132996 ChemSpider
HMDB0037689 HMDB
LMPK12113345 LIPID MAPS
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Registry Number Type Source
1178-24-1 CAS Registry Number ChemIDplus