EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200854 - Helicusin A

ChEBI IDCHEBI:200854
ChEBI NameHelicusin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27ClO7
Net Charge0
Average Mass474.937
Monoisotopic Mass474.14453
SMILESCC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(OC(=O)/C=C(\C)CC(=O)O)C(=O)C2=CO1
InChIInChI=1S/C25H27ClO7/c1-6-14(2)9-15(3)7-8-17-12-18-19(13-32-17)23(30)25(5,24(31)22(18)26)33-21(29)11-16(4)10-20(27)28/h7-9,11-14H,6,10H2,1-5H3,(H,27,28)/b8-7+,15-9+,16-11+/t14-,25-/m0/s1
InChIKeyHIYBJBWWMULNJP-FDJFFGAXSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - DOI (10.1248/cpb.43.1307)
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)
Helicusin A (CHEBI:200854) is a azaphilone (CHEBI:50941)
IUPAC Name 
(E)-5-[(7S)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisochromen-7-yl]oxy-3-methyl-5-oxopent-3-enoic acid
Manual XrefsDatabases
8610479ChemSpider