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CHEBI:199343 - Phomol

ChEBI IDCHEBI:199343
ChEBI NamePhomol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O7
Net Charge0
Average Mass412.523
Monoisotopic Mass412.24610
SMILESCCCCCC1OC(=O)CC(O)C(O)/C=C/C(O)C1OC(=O)/C(C)=C/C(C)CC
InChIInChI=1S/C22H36O7/c1-5-7-8-9-19-21(29-22(27)15(4)12-14(3)6-2)17(24)11-10-16(23)18(25)13-20(26)28-19/h10-12,14,16-19,21,23-25H,5-9,13H2,1-4H3/b11-10+,15-12+
InChIKeyIRLIXJLJAAXRFK-GCHFJXRNSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (15580955)
Phoma (ncbitaxon:37463) - PubMed (27602792)
ChEBI Ontology
Outgoing Relation(s)
Phomol (CHEBI:199343) is a oxacycle (CHEBI:38104)
IUPAC Names 
[(5E)-4,7,8-trihydroxy-10-oxo-2-pentyl-2,3,4,7,8,9-hexahydrooxecin-3-yl] (E)-2,4-dimethylhex-2-enoate
(3'R,4S)-3',8-dihydroxyspiro[2,3-dihydronaphthalene-4,5'-oxolane]-1,2'-dione
Manual XrefsDatabases
8629778ChemSpider
78441811ChemSpider