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CHEBI:217177 - Acremofuranone B

ChEBI IDCHEBI:217177
ChEBI NameAcremofuranone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27ClO4
Net Charge0
Average Mass402.918
Monoisotopic Mass402.15979
SMILESC/C1=C\Cc2c(O)c(Cl)c(C)c(c2O)C=C2C(=O)C(C)(C)O[C@@H]2/C(C)=C/CC1
InChIInChI=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
InChIKeyXJTUYADTDTZVSU-BPBAMZLPSA-N
Species of MetaboliteComponentSourceComments
Acremoniumspecies (ncbitaxon:2046025) - PubMed (19199645)
ChEBI Ontology
Outgoing Relation(s)
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