CHEBI:217177 - Acremofuranone B

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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 Acremofuranone B
ChEBI ID CHEBI:217177
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H27ClO4
Net Charge 0
Average Mass 402.920
Monoisotopic Mass 402.15979
InChI InChI=1S/C23H27ClO4/c1-12-7-6-8-13(2)21-17(22(27)23(4,5)28-21)11-16-14(3)18(24)20(26)15(10-9-12)19(16)25/h8-9,11,21,25-26H,6-7,10H2,1-5H3/b12-9+,13-8+,17-11?/t21-/m1/s1
InChIKey XJTUYADTDTZVSU-BPBAMZLPSA-N
SMILES ClC1=C(O)C2=C(O)C(=C1C)C=C3C(=O)C(C)(C)O[C@@H]3C(=CCCC(=CC2)C)C
Metabolite of Species Details
Acremoniumspecies (NCBI:txid2046025) See: PubMed
ChEBI Ontology
Outgoing Acremofuranone B (CHEBI:217177) is a organochlorine compound (CHEBI:36683)
IUPAC Name
(7R,8E,12E)-17-chloro-16,19-dihydroxy-5,5,8,12,18-pentamethyl-6-oxatricyclo[13.3.1.03,7]nonadeca-1(18),2,8,12,15(19),16-hexaen-4-one