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CHEBI:217279 - Alternapyrone F

ChEBI IDCHEBI:217279
ChEBI NameAlternapyrone F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O8
Net Charge0
Average Mass504.620
Monoisotopic Mass504.27232
SMILESCC(=CC(CCC[C@]1(CO)C=C(CO)[C@H](C)O1)C(=O)O)C=C(C)CC(C)c1oc(=O)c(C)c(O)c1C
InChIInChI=1S/C28H40O8/c1-16(11-18(3)25-19(4)24(31)20(5)27(34)35-25)10-17(2)12-22(26(32)33)8-7-9-28(15-30)13-23(14-29)21(6)36-28/h10,12-13,18,21-22,29-31H,7-9,11,14-15H2,1-6H3,(H,32,33)/t18?,21-,22?,28+/m0/s1
InChIKeyKBKPUHNZWFPACT-KSASSKFLSA-N
Species of MetaboliteComponentSourceComments
Parastagonospora nodorum (ncbitaxon:13684) - PubMed (30226784)
ChEBI Ontology
Outgoing Relation(s)
Alternapyrone F (CHEBI:217279) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
2-[3-[(2S,5R)-3,5-bis(hydroxymethyl)-2-methyl-2H-uran-5-yl]propyl]-8-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-4,6-dimethylnona-3,5-dienoic acid
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