CHEBI:205293 - Acremofuranone 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 Acremofuranone A
ChEBI ID CHEBI:205293
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H29ClO5
Net Charge 0
Average Mass 420.930
Monoisotopic Mass 420.17035
InChI InChI=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
InChIKey MWJBWRVMTRFETC-VBZWRQBZSA-N
SMILES ClC1=C(O)C2=C(O)C(=C1C)[C@@H](O)[C@H]3C(=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 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 Xref Database
27023949 ChemSpider
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