CHEBI:186383 - 2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one

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ChEBI Name 2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one
ChEBI ID CHEBI:186383
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O8
Net Charge 0
Average Mass 456.491
Monoisotopic Mass 456.17842
InChI InChI=1S/C25H28O8/c1-14(2)8-9-32-23-19(27-3)10-15(11-20(23)28-4)17-12-16(26)22-18(33-17)13-21(29-5)24(30-6)25(22)31-7/h8,10-13H,9H2,1-7H3
InChIKey FCJULDZGZAWBOI-UHFFFAOYSA-N
SMILES O1C=2C(=C(OC)C(OC)=C(OC)C2)C(=O)C=C1C3=CC(OC)=C(OCC=C(C)C)C(OC)=C3
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one (CHEBI:186383) is a ether (CHEBI:25698)
2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one (CHEBI:186383) is a flavonoids (CHEBI:72544)
IUPAC Name
2-[3,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]-5,6,7-trimethoxychromen-4-one
Manual Xrefs Databases
24844167 ChemSpider
LMPK12111266 LIPID MAPS
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