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CHEBI:207651 - Colletofragarone A2

ChEBI IDCHEBI:207651
ChEBI NameColletofragarone A2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O6
Net Charge0
Average Mass386.444
Monoisotopic Mass386.17294
SMILESC/C=C/C=C/C=C/C1=C2C(=O)OC(C)CC(O)CC(O)[C@@H]3C(=O)C=C[C@H](O1)[C@H]23
InChIInChI=1S/C22H26O6/c1-3-4-5-6-7-8-17-21-20-18(28-17)10-9-15(24)19(20)16(25)12-14(23)11-13(2)27-22(21)26/h3-10,13-14,16,18-20,23,25H,11-12H2,1-2H3/b4-3+,6-5+,8-7+/t13?,14?,16?,18-,19-,20-/m0/s1
InChIKeyPSMAZPOSNHLCII-IFFOLWIDSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum fragariae (ncbitaxon:27359) - DOI (10.1016/0040-4039(96)01212-9)
ChEBI Ontology
Outgoing Relation(s)
Colletofragarone A2 (CHEBI:207651) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,12S,16S)-10-[(1E,3E,5E)-hepta-1,3,5-trienyl]-2,4-dihydroxy-6-methyl-7,11-dioxatricyclo[7.6.1.012,16]hexadeca-9,13-diene-8,15-dione
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8890513ChemSpider