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CHEBI:205293 - Acremofuranone A

ChEBI IDCHEBI:205293
ChEBI NameAcremofuranone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29ClO5
Net Charge0
Average Mass420.933
Monoisotopic Mass420.17035
SMILESC/C1=C\Cc2c(O)c(Cl)c(C)c(c2O)[C@@H](O)[C@H]2C(=O)C(C)(C)O[C@@H]2/C(C)=C/CC1
InChIInChI=1S/C23H29ClO5/c1-11-7-6-8-12(2)21-16(22(28)23(4,5)29-21)20(27)15-13(3)17(24)19(26)14(10-9-11)18(15)25/h8-9,16,20-21,25-27H,6-7,10H2,1-5H3/b11-9+,12-8+/t16-,20-,21-/m1/s1
InChIKeyMWJBWRVMTRFETC-VBZWRQBZSA-N
Species of MetaboliteComponentSourceComments
Acremoniumspecies (ncbitaxon:2046025) - PubMed (19199645)
ChEBI Ontology
Outgoing Relation(s)
Acremofuranone A (CHEBI:205293) is a halophenol (CHEBI:38856)
IUPAC Name 
(2S,3R,7S,8E,12E)-17-chloro-2,16,19-trihydroxy-5,5,8,12,18-pentamethyl-6-oxatricyclo[13.3.1.03,7]nonadeca-1(18),8,12,15(19),16-pentaen-4-one
Manual XrefsDatabases
27023949ChemSpider