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CHEBI:224255 - 3,6a,9,10-tetrahydroxy-7,8-epoxy-4-oxo-4,5,6,6a,6b,7,8,9-octahydroperylene

ChEBI IDCHEBI:224255
ChEBI Name3,6a,9,10-tetrahydroxy-7,8-epoxy-4-oxo-4,5,6,6a,6b,7,8,9-octahydroperylene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O6
Net Charge0
Average Mass352.342
Monoisotopic Mass352.09469
SMILESO=C1CC[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@H]2[C@H]1O[C@H]1[C@@H]3O
InChIInChI=1S/C20H16O6/c21-9-4-2-8-7-1-3-10(22)14-12(7)16(18-19(26-18)17(14)24)20(25)6-5-11(23)13(9)15(8)20/h1-4,16-19,21-22,24-25H,5-6H2/t16-,17-,18-,19+,20+/m1/s1
InChIKeyXOTLUQABIWQMNK-UEDWAMCQSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies (ncbitaxon:1715220) - DOI (10.1016/j.phytol.2015.01.008)
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)
3,6a,9,10-tetrahydroxy-7,8-epoxy-4-oxo-4,5,6,6a,6b,7,8,9-octahydroperylene (CHEBI:224255) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(10R,11R,12R,14S,15R)-5,10,15,17-tetrahydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaen-7-one
Manual XrefsDatabases
78442245ChemSpider