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CHEBI:204194 - Citreohybridone C

ChEBI IDCHEBI:204194
ChEBI NameCitreohybridone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O7
Net Charge0
Average Mass472.578
Monoisotopic Mass472.24610
SMILESCOC(=O)[C@@]12C(OC)=C(C)C(=O)[C@]1(C)C(C)=CC1[C@]34CC[C@H](O)C(C)(C)C3[C@H](C[C@@]12C)OC4=O
InChIInChI=1S/C27H36O7/c1-13-11-16-24(5,27(22(31)33-8)20(32-7)14(2)19(29)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
InChIKeyQADCASSNUKMCSV-GQALZDFZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4020(03)00739-7)
ChEBI Ontology
Outgoing Relation(s)
Citreohybridone C (CHEBI:204194) is a γ-lactone (CHEBI:37581)
IUPAC Name 
methyl (1R,5R,9R,10S,12S,15S)-15-hydroxy-8-methoxy-4,5,7,10,14,14-hexamethyl-6,18-dioxo-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadeca-3,7-diene-9-carboxylate
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78443561ChemSpider