EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:32051 - Premithramycinone

Default Structure
ChEBI IDCHEBI:32051
ChEBI NamePremithramycinone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H18O9
Net Charge0
Average Mass414.366
Monoisotopic Mass414.09508
SMILES[H][C@@]12Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]1(O)C(=O)C(C(C)=O)=C(O)[C@H]2OC
InChIInChI=1S/C21H18O9/c1-7(22)13-17(26)18(30-2)11-5-9-3-8-4-10(23)6-12(24)14(8)16(25)15(9)20(28)21(11,29)19(13)27/h3-4,6,11,18,23-26,29H,5H2,1-2H3/t11-,18-,21+/m0/s1
InChIKeyYGEWGLOEJMBKRL-NKTYFGPESA-N
ChEBI Ontology
Outgoing Relation(s)
Premithramycinone (CHEBI:32051) is a naphthols (CHEBI:25392)
Synonym  Source
PremithramycinoneKEGG COMPOUND
Manual XrefsDatabases
C12383KEGG COMPOUND