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CHEBI:207468 - Penicillactone C

ChEBI IDCHEBI:207468
ChEBI NamePenicillactone C
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SubmitterMetaboLights
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FormulaC28H36O12
Net Charge0
Average Mass564.584
Monoisotopic Mass564.22068
SMILESCCCCCC[C@H]1C=C([C@]2(C(=O)OC)C[C@@H]([C@H](O)[C@@H](O)C/C=C\C(=O)OC)C[C@@]23C(=O)OC(=O)/C3=C\O)C(=O)O1
InChIInChI=1S/C28H36O12/c1-4-5-6-7-9-17-12-18(23(33)39-17)27(25(35)38-3)13-16(22(32)20(30)10-8-11-21(31)37-2)14-28(27)19(15-29)24(34)40-26(28)36/h8,11-12,15-17,20,22,29-30,32H,4-7,9-10,13-14H2,1-3H3/b11-8-,19-15+/t16-,17+,20+,22+,27+,28-/m1/s1
InChIKeyULUMNLCJERAXQP-JWCHVQLNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24093807)
ChEBI Ontology
Outgoing Relation(s)
Penicillactone C (CHEBI:207468) is a terpene lactone (CHEBI:37668)
IUPAC Name 
methyl (4Z,5R,7R,9R)-7-[(Z,1S,2S)-1,2-dihydroxy-6-methoxy-6-oxohex-4-enyl]-9-[(2S)-2-hexyl-5-oxo-2H-uran-4-yl]-4-(hydroxymethylidene)-1,3-dioxo-2-oxaspiro[4.4]nonane-9-carboxylate
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