EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222457 - ACTG-toxin A

ChEBI IDCHEBI:222457
ChEBI NameACTG-toxin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILESCC(C)=CCCC(C)C1=CCC(C)(O)C1CC1=C(O)C(O)CCC1=O
InChIInChI=1S/C21H32O4/c1-13(2)6-5-7-14(3)15-10-11-21(4,25)17(15)12-16-18(22)8-9-19(23)20(16)24/h6,10,14,17,19,23-25H,5,7-9,11-12H2,1-4H3
InChIKeySVUAWISCDNAMSM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - PubMed (23139166)
ChEBI Ontology
Outgoing Relation(s)
ACTG-toxin A (CHEBI:222457) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3,4-dihydroxy-2-[[5-hydroxy-5-methyl-2-(6-methylhept-5-en-2-yl)cyclopent-2-en-1-yl]methyl]cyclohex-2-en-1-one
Manual XrefsDatabases
165550ChemSpider