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CHEBI:219705 - Helicusin E

ChEBI IDCHEBI:219705
ChEBI NameHelicusin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H29ClO9
Net Charge0
Average Mass508.951
Monoisotopic Mass508.15001
SMILESCCC(C)C(O)C(C)(O)C=CC1=CC2=C(Cl)C(=O)[C@@](C)(OC(=O)/C=C(\C)CC(=O)O)C(=O)C2=CO1
InChIInChI=1S/C25H29ClO9/c1-6-14(3)21(30)24(4,33)8-7-15-11-16-17(12-34-15)22(31)25(5,23(32)20(16)26)35-19(29)10-13(2)9-18(27)28/h7-8,10-12,14,21,30,33H,6,9H2,1-5H3,(H,27,28)/b8-7?,13-10+/t14?,21?,24?,25-/m0/s1
InChIKeyKRQJBTNVZHCANM-NVYBTJKXSA-N
Species of MetaboliteComponentSourceComments
Bartalinia (ncbitaxon:162405) - PubMed (23481677)
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 E (CHEBI:219705) is a azaphilone (CHEBI:50941)
IUPAC Name 
(E)-5-[(7S)-5-chloro-3-(3,4-dihydroxy-3,5-dimethylhept-1-enyl)-7-methyl-6,8-dioxoisochromen-7-yl]oxy-3-methyl-5-oxopent-3-enoic acid