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CHEBI:204542 - 6-epi-stemphytriol

ChEBI IDCHEBI:204542
ChEBI Name6-epi-stemphytriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O7
Net Charge0
Average Mass368.341
Monoisotopic Mass368.08960
SMILESO=C1C[C@@H](O)[C@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@]2(O)[C@@H](O)CC3=O
InChIInChI=1S/C20H16O7/c21-9-3-1-7-8-2-4-10(22)17-12(24)6-14(26)20(27,18(8)17)19-13(25)5-11(23)16(9)15(7)19/h1-4,13-14,19,21-22,25-27H,5-6H2/t13-,14+,19+,20-/m1/s1
InChIKeyUDIDBNJPZHIJMU-BBNYVJOESA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - PubMed (19967977)
ChEBI Ontology
Outgoing Relation(s)
6-epi-stemphytriol (CHEBI:204542) is a naphthalenone (CHEBI:25479)
IUPAC Name 
(1S,12R,12aR,12bS)-1,4,9,12,12b-pentahydroxy-2,11,12,12a-tetrahydro-1H-perylene-3,10-dione
Manual XrefsDatabases
27023992ChemSpider