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CHEBI:216572 - Hypocrellone A

Default Structure
ChEBI IDCHEBI:216572
ChEBI NameHypocrellone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25ClO6
Net Charge0
Average Mass384.856
Monoisotopic Mass384.13397
SMILESCC[C@H](C)[C@@H](O)[C@](C)(O)C=CC1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2=CO1
InChIInChI=1S/C19H25ClO6/c1-5-10(2)15(21)18(3,24)7-6-11-8-12-13(9-26-11)16(22)19(4,25)17(23)14(12)20/h6-10,15-16,21-22,24-25H,5H2,1-4H3/t10-,15+,16?,18+,19?/m0/s1
InChIKeyBRELKNNWUMEGDN-GHCXSWNOSA-N
Species of MetaboliteComponentSourceComments
Hypocrella (ncbitaxon:42305) - PubMed (25801461)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Hypocrellone A (CHEBI:216572) is a azaphilone (CHEBI:50941)
IUPAC Name 
5-chloro-3-[(3R,4R,5S)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one
Manual XrefsDatabases
78438643ChemSpider