EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206244 - Pyralomicin 1a

ChEBI IDCHEBI:206244
ChEBI NamePyralomicin 1a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19Cl2NO7
Net Charge0
Average Mass456.278
Monoisotopic Mass455.05386
SMILESCO[C@@H]1C(CO)=C[C@@H](n2c(Cl)cc3c(=O)c4c(O)c(Cl)cc(C)c4oc32)[C@H](O)[C@H]1O
InChIInChI=1S/C20H19Cl2NO7/c1-7-3-10(21)15(26)13-14(25)9-5-12(22)23(20(9)30-18(7)13)11-4-8(6-24)19(29-2)17(28)16(11)27/h3-5,11,16-17,19,24,26-28H,6H2,1-2H3/t11-,16+,17-,19-/m1/s1
InChIKeyJPPZZIRKTBZEAJ-JLBIYAHBSA-N
Species of MetaboliteComponentSourceComments
Microtetraspora (ncbitaxon:1995) - PubMed (8784427)
ChEBI Ontology
Outgoing Relation(s)
Pyralomicin 1a (CHEBI:206244) is a chromones (CHEBI:23238)
IUPAC Name 
2,6-dichloro-1-[(1R,4R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-4-methoxycyclohex-2-en-1-yl]-5-hydroxy-8-methylchromeno[2,3-b]pyrrol-4-one
Manual XrefsDatabases
2331433ChemSpider