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CHEBI:218026 - Eupenicilazaphilone C

ChEBI IDCHEBI:218026
ChEBI NameEupenicilazaphilone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29ClO7
Net Charge0
Average Mass428.909
Monoisotopic Mass428.16018
SMILESCC[C@H](C)[C@@H](O)[C@@](C)(O)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@H](OC(C)=O)[C@H]2CO1
InChIInChI=1S/C21H29ClO7/c1-6-11(2)17(24)20(4,26)8-7-13-9-14-15(10-28-13)19(29-12(3)23)21(5,27)18(25)16(14)22/h7-9,11,15,17,19,24,26-27H,6,10H2,1-5H3/b8-7+/t11-,15-,17+,19+,20-,21-/m0/s1
InChIKeyBPFKUKMOOOUEPT-QTKYNUCXSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies 6A-9 (ncbitaxon:1586111) - DOI (10.1016/j.tetlet.2018.06.057)
ChEBI Ontology
Outgoing Relation(s)
Eupenicilazaphilone C (CHEBI:218026) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
[(7R,8R,8aR)-5-chloro-3-[(E,3S,4R,5S)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate
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71044341ChemSpider