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CHEBI:224047 - Purpuromycin

ChEBI IDCHEBI:224047
ChEBI NamePurpuromycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H18O13
Net Charge0
Average Mass538.417
Monoisotopic Mass538.07474
SMILESCOC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@@]1(CC2=C(O1)C(=O)c1c(O)c(OC)cc(O)c1C2=O)C[C@@H]3O
InChIInChI=1S/C26H18O13/c1-35-13-5-11(27)16-17(19(13)30)21(32)23-10(18(16)29)6-26(39-23)7-12(28)9-3-8-4-14(24(33)36-2)37-25(34)15(8)20(31)22(9)38-26/h3-5,12,27-28,30-31H,6-7H2,1-2H3/t12-,26+/m0/s1
InChIKeyDJICBKSAAXLOMR-GWQKEKGPSA-N
Species of MetaboliteComponentSourceComments
Actinoplanes (ncbitaxon:1865) - PubMed (4836652)
ChEBI Ontology
Outgoing Relation(s)
Purpuromycin (CHEBI:224047) is a chromenes (CHEBI:23232)
IUPAC Name 
methyl (2R,4S)-4,5',8',10-tetrahydroxy-7'-methoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[][1]benzouran]-7-carboxylate
Manual XrefsDatabases
78443163ChemSpider