CHEBI:208142 - Sclerotiorin A

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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 Sclerotiorin A
ChEBI ID CHEBI:208142
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H29ClO4
Net Charge 0
Average Mass 404.930
Monoisotopic Mass 404.17544
InChI InChI=1S/C23H29ClO4/c1-7-14(2)10-15(3)8-9-16-11-17-18(13-27-16)19-12-22(4,26-6)28-23(19,5)21(25)20(17)24/h8-11,13-14,19H,7,12H2,1-6H3/t14-,19+,22-,23+/m0/s1
InChIKey UPDPKZZTBLSIHI-PVJWPDJKSA-N
SMILES ClC1=C2C(=COC(=C2)C=CC(=C[C@H](CC)C)C)[C@H]3C[C@](O[C@]3(C1=O)C)(OC)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Sclerotiorin A (CHEBI:208142) is a ketal (CHEBI:59777)
IUPAC Name
(6aR,8S,9aR)-5-chloro-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-8-methoxy-6a,8-dimethyl-9,9a-dihydrouro[2,3-h]isochromen-6-one