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CHEBI:226194 - Altertoxin III

ChEBI IDCHEBI:226194
ChEBI NameAltertoxin III
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H12O6
Net Charge0
Average Mass348.310
Monoisotopic Mass348.06339
SMILESO=C1c2c(O)ccc3c2[C@H](c2ccc(O)c4c2[C@H]3[C@H]2O[C@H]2C4=O)[C@H]2O[C@@H]12
InChIInChI=1S/C20H12O6/c21-7-3-1-5-9-12(18-20(26-18)15(23)13(7)9)6-2-4-8(22)14-10(6)11(5)17-19(25-17)16(14)24/h1-4,11-12,17-22H/t11-,12-,17+,18+,19-,20-/m0/s1
InChIKeyCJGDIPRCPKGNLW-AHYXFKKWSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - PubMed (3546597)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Altertoxin III (CHEBI:226194) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(2S,3R,5R,12S,13R,15R)-8,18-dihydroxy-4,14-dioxaheptacyclo[10.8.1.12,7.03,5.013,15.017,21.011,22]docosa-1(21),7,9,11(22),17,19-hexaene-6,16-dione
Manual XrefsDatabases
102847ChemSpider