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CHEBI:207300 - Altertoxin IV

ChEBI IDCHEBI:207300
ChEBI NameAltertoxin IV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O6
Net Charge0
Average Mass352.342
Monoisotopic Mass352.09469
SMILESOc1ccc2c3c1[C@@H](O)[C@@H]1O[C@@H]1[C@H]3c1ccc(O)c3c1[C@H]2[C@H]1O[C@H]1[C@@H]3O
InChIInChI=1S/C20H16O6/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/h1-4,11-12,15-24H/t11-,12-,15+,16+,17+,18+,19-,20-/m0/s1
InChIKeyXSDHEAABYNNUIQ-YZRPZTIYSA-N
Species of MetaboliteComponentSourceComments
Alternaria tenuissima (ncbitaxon:119927) - PubMed (24660902)
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 IV (CHEBI:207300) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(2S,3R,5S,6R,12S,13R,15S,16R)-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-6,8,16,18-tetrol
Manual XrefsDatabases
78437331ChemSpider