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CHEBI:199298 - Azaphilone Multiformin C

ChEBI IDCHEBI:199298
ChEBI NameAzaphilone Multiformin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O6
Net Charge0
Average Mass406.434
Monoisotopic Mass406.14164
SMILESCCC(C)C(=O)C1=C2C3=COC(c4c(C)cccc4O)=CC3=CC(=O)[C@@]2(C)OC1=O
InChIInChI=1S/C24H22O6/c1-5-12(2)22(27)20-21-15-11-29-17(19-13(3)7-6-8-16(19)25)9-14(15)10-18(26)24(21,4)30-23(20)28/h6-12,25H,5H2,1-4H3/t12?,24-/m1/s1
InChIKeyPDIQMKRQFHBXJF-JGRONMTFSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - PubMed (16320209)
ChEBI Ontology
Outgoing Relation(s)
Azaphilone Multiformin C (CHEBI:199298) is a hydroxytoluene (CHEBI:24751)
IUPAC Name 
(6aS)-3-(2-hydroxy-6-methylphenyl)-6a-methyl-9-(2-methylbutanoyl)uro[2,3-h]isochromene-6,8-dione
Manual XrefsDatabases
9756982ChemSpider