CHEBI:218026 - Eupenicilazaphilone C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Eupenicilazaphilone C
ChEBI ID CHEBI:218026
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H29ClO7
Net Charge 0
Average Mass 428.910
Monoisotopic Mass 428.16018
InChI InChI=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
InChIKey BPFKUKMOOOUEPT-QTKYNUCXSA-N
SMILES ClC=1C(=O)[C@](O)([C@H](OC(=O)C)[C@@H]2C1C=C(OC2)/C=C/[C@](O)([C@H](O)[C@H](CC)C)C)C
Metabolite of Species Details
Penicilliumspecies 6A-9 (NCBI:txid1586111) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
71044341 ChemSpider
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