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CHEBI:229166 - Mesuafenol

ChEBI IDCHEBI:229166
ChEBI NameMesuafenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H46O6
Net Charge0
Average Mass562.747
Monoisotopic Mass562.32944
SMILESCC(=O)C(O)(C1=C(O)C(CC=C(C)C)(CC(CC=C(C)C)=C(C)C)C2OC(C)C(C)C(=O)C2C1=O)c1ccccc1
InChIInChI=1S/C35H46O6/c1-20(2)15-16-26(22(5)6)19-34(18-17-21(3)4)32(39)29(35(40,25(9)36)27-13-11-10-12-14-27)31(38)28-30(37)23(7)24(8)41-33(28)34/h10-15,17,23-24,28,33,39-40H,16,18-19H2,1-9H3
InChIKeyNLMZINGNOXFSBZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Mesuafenol (CHEBI:229166) is a benzopyran (CHEBI:22727)
IUPAC Name 
7-hydroxy-6-(1-hydroxy-2-oxo-1-phenylpropyl)-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-(5-methyl-2-propan-2-ylidenehex-4-enyl)-2,3,4a,8a-tetrahydrochromene-4,5-dione
Manual XrefsDatabases
4477685ChemSpider