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CHEBI:212456 - 3,11alpha,12beta,13beta,16-pentahydroxy-11,12-dihydroperylen-6(13H)-one

ChEBI IDCHEBI:212456
ChEBI Name3,11alpha,12beta,13beta,16-pentahydroxy-11,12-dihydroperylen-6(13H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O6
Net Charge0
Average Mass350.326
Monoisotopic Mass350.07904
SMILESO=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)[C@H](O)[C@H](O)[C@H]3O
InChIInChI=1S/C20H14O6/c21-10-4-1-7-8-2-5-12(23)17-14(8)15(18(24)20(26)19(17)25)9-3-6-11(22)16(10)13(7)9/h1-6,18-21,23-26H/t18-,19-,20+/m0/s1
InChIKeyLYFFSXMYKSNTOT-SLFFLAALSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (28300771)
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)
3,11alpha,12beta,13beta,16-pentahydroxy-11,12-dihydroperylen-6(13H)-one (CHEBI:212456) is a phenanthrol (CHEBI:25962)
IUPAC Name 
(10S,11R,12S)-4,9,10,11,12-pentahydroxy-11,12-dihydro-10H-perylen-3-one
Manual XrefsDatabases
61708486ChemSpider