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CHEBI:209227 - Bromorebeccamycin

ChEBI IDCHEBI:209227
ChEBI NameBromorebeccamycin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H21Br2N3O7
Net Charge0
Average Mass659.287
Monoisotopic Mass656.97462
SMILESCOC1C(CO)OC(n2c3c(Br)cccc3c3c4c(c5c6cccc(Br)c6nc5c32)C(=O)NC4=O)C(O)C1O
InChIInChI=1S/C27H21Br2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)
InChIKeyJWQIECPFDJFLLQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lentzea aerocolonigenes (ncbitaxon:68170) - PubMed (1938615)
ChEBI Ontology
Outgoing Relation(s)
Bromorebeccamycin (CHEBI:209227) is a indolocarbazole (CHEBI:51915)
IUPAC Name 
5,21-dibromo-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
Manual XrefsDatabases
78444269ChemSpider