EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201863 - Penipurdin A

ChEBI IDCHEBI:201863
ChEBI NamePenipurdin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O6
Net Charge0
Average Mass328.320
Monoisotopic Mass328.09469
SMILESCOc1cc(O)cc2c1C(=O)c1c(O)cc(C[C@H](C)O)cc1C2=O
InChIInChI=1S/C18H16O6/c1-8(19)3-9-4-11-15(13(21)5-9)18(23)16-12(17(11)22)6-10(20)7-14(16)24-2/h4-8,19-21H,3H2,1-2H3/t8-/m0/s1
InChIKeyUDGPOMVMLXQVQR-QMMMGPOBSA-N
ChEBI Ontology
Outgoing Relation(s)
Penipurdin A (CHEBI:201863) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
1,6-dihydroxy-3-[(2S)-2-hydroxypropyl]-8-methoxyanthracene-9,10-dione
Manual XrefsDatabases
109107926ChemSpider