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CHEBI:197698 - 1,4,6b,7,10-pentahydroxy-1,2,6b,7,8,12b-hexahydroperylene-3,9-dione

ChEBI IDCHEBI:197698
ChEBI Name1,4,6b,7,10-pentahydroxy-1,2,6b,7,8,12b-hexahydroperylene-3,9-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O7
Net Charge0
Average Mass368.341
Monoisotopic Mass368.08960
SMILESO=C1C[C@H](O)[C@H]2c3ccc(O)c4c3[C@](O)(c3ccc(O)c1c32)[C@@H](O)CC4=O
InChIInChI=1S/C20H16O7/c21-9-4-2-8-16-15(11(23)5-12(24)17(9)16)7-1-3-10(22)18-13(25)6-14(26)20(8,27)19(7)18/h1-4,11,14-15,21-23,26-27H,5-6H2/t11-,14-,15+,20-/m0/s1
InChIKeyVJWXYPUJILLMFB-GSLSEBINSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - DOI (10.1016/j.tetlet.2016.06.035)
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)
1,4,6b,7,10-pentahydroxy-1,2,6b,7,8,12b-hexahydroperylene-3,9-dione (CHEBI:197698) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(1S,6bS,7S,12bR)-1,4,7,10,12b-pentahydroxy-2,6b,7,8-tetrahydro-1H-perylene-3,9-dione
Manual XrefsDatabases
78442436ChemSpider