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CHEBI:222007 - Porritoxinol

ChEBI IDCHEBI:222007
ChEBI NamePorritoxinol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O6
Net Charge0
Average Mass296.319
Monoisotopic Mass296.12599
SMILESCOc1c(C)c(OC[C@H](O)C(C)(C)O)cc2c1COC2=O
InChIInChI=1S/C15H20O6/c1-8-11(20-7-12(16)15(2,3)18)5-9-10(13(8)19-4)6-21-14(9)17/h5,12,16,18H,6-7H2,1-4H3/t12-/m0/s1
InChIKeyWVJWALIKYTWYOP-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Alternaria porri (ncbitaxon:48098) - DOI (10.1016/s0031-9422(00)90570-3)
ChEBI Ontology
Outgoing Relation(s)
Porritoxinol (CHEBI:222007) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
6-[(2S)-2,3-dihydroxy-3-methylbutoxy]-4-methoxy-5-methyl-3H-2-benzouran-1-one
Manual XrefsDatabases
9954001ChemSpider