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CHEBI:211709 - Isocitreohybridone C

ChEBI IDCHEBI:211709
ChEBI NameIsocitreohybridone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O7
Net Charge0
Average Mass472.578
Monoisotopic Mass472.24610
SMILESCOC(=O)[C@@]12C(=O)C(C)=C(OC)[C@]1(C)C(C)=C[C@H]1[C@]34CC[C@H](O)C(C)(C)[C@H]3[C@H](C[C@@]12C)OC4=O
InChIInChI=1S/C27H36O7/c1-13-11-16-24(5,27(22(31)33-8)19(29)14(2)20(32-7)25(13,27)6)12-15-18-23(3,4)17(28)9-10-26(16,18)21(30)34-15/h11,15-18,28H,9-10,12H2,1-8H3/t15-,16+,17-,18+,24-,25-,26+,27+/m0/s1
InChIKeyMWKLJSBTFMXCEJ-RJVGSDMHSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4020(03)00739-7)
ChEBI Ontology
Outgoing Relation(s)
Isocitreohybridone C (CHEBI:211709) is a γ-lactone (CHEBI:37581)
IUPAC Name 
methyl (1R,2R,5R,9R,10S,12S,13R,15S)-15-hydroxy-6-methoxy-4,5,7,10,14,14-hexamethyl-8,18-dioxo-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadeca-3,6-diene-9-carboxylate
Manual XrefsDatabases
10286751ChemSpider