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CHEBI:222550 - Chromoxymycin

ChEBI IDCHEBI:222550
ChEBI NameChromoxymycin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC49H60N4O14
Net Charge0
Average Mass929.033
Monoisotopic Mass928.41060
SMILESCc1cc2c(c3oc(C4(C)OC4C4OC4C)cc(=O)c13)C(c1ccc(C(=O)NCCC(=O)O)n1O)c1c(O)c(C3CC(C)(N(C)C)C(O)C(C)O3)cc(C3CC(N(C)C)C(O)C(C)O3)c1C2=O
InChIInChI=1S/C49H60N4O14/c1-20-15-26-37(44-35(20)30(54)18-33(66-44)49(6)46(67-49)43-22(3)65-43)38(27-11-12-28(53(27)62)47(61)50-14-13-34(55)56)39-36(42(26)59)24(31-17-29(51(7)8)40(57)21(2)63-31)16-25(41(39)58)32-19-48(5,52(9)10)45(60)23(4)64-32/h11-12,15-16,18,21-23,29,31-32,38,40,43,45-46,57-58,60,62H,13-14,17,19H2,1-10H3,(H,50,61)(H,55,56)
InChIKeyMIEMDQVNFRNROW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3949625)
ChEBI Ontology
Outgoing Relation(s)
Chromoxymycin (CHEBI:222550) is a organic heterotricyclic compound (CHEBI:26979)
Chromoxymycin (CHEBI:222550) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
3-[[5-[10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]-4,7-dioxo-12H-naphtho[3,2-h]chromen-12-yl]-1-hydroxypyrrole-2-carbonyl]amino]propanoic acid
Manual XrefsDatabases
2299984ChemSpider