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CHEBI:216612 - Deoxyfusapyrone

ChEBI IDCHEBI:216612
ChEBI NameDeoxyfusapyrone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H54O8
Net Charge0
Average Mass590.798
Monoisotopic Mass590.38187
SMILESCCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)c1cc(O)c([C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1
InChIInChI=1S/C34H54O8/c1-8-9-10-11-12-21(2)15-23(4)17-24(5)16-22(3)13-14-28(38)34(6,7)29-19-26(36)30(33(40)42-29)32-31(39)27(37)18-25(20-35)41-32/h13-14,16-17,19,21,24-25,27-28,31-32,35-39H,8-12,15,18,20H2,1-7H3/b14-13+,22-16+,23-17-/t21?,24?,25-,27-,28?,31+,32-/m1/s1
InChIKeyMRMMGDLQIQYRDA-OEYYDSRVSA-N
Species of MetaboliteComponentSourceComments
Fusarium incarnatum (ncbitaxon:298378) - PubMed (8032694)
ChEBI Ontology
Outgoing Relation(s)
Deoxyfusapyrone (CHEBI:216612) is a terpene lactone (CHEBI:37668)
IUPAC Name 
3-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(4E,6E,9Z)-3-hydroxy-2,6,8,10,12-pentamethyloctadeca-4,6,9-trien-2-yl]pyran-2-one
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29212928ChemSpider