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CHEBI:198851 - 9-methoxyrebeccamycin

ChEBI IDCHEBI:198851
ChEBI Name9-methoxyrebeccamycin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H23Cl2N3O8
Net Charge0
Average Mass600.411
Monoisotopic Mass599.08622
SMILESCOc1cc(Cl)c2c(c1)c1c3c(c4c5cccc(Cl)c5nc4c1n2[C@@H]1O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]1O)C(=O)NC3=O
InChIInChI=1S/C28H23Cl2N3O8/c1-39-9-6-11-16-18-17(26(37)32-27(18)38)15-10-4-3-5-12(29)19(10)31-20(15)22(16)33(21(11)13(30)7-9)28-24(36)23(35)25(40-2)14(8-34)41-28/h3-7,14,23-25,28,31,34-36H,8H2,1-2H3,(H,32,37,38)/t14-,23-,24-,25-,28-/m1/s1
InChIKeyHUCOVWGJVBBELT-BJIUMZSASA-N
Species of MetaboliteComponentSourceComments
Pseudonocardiaspecies (ncbitaxon:60912) - PubMed (26535611)
ChEBI Ontology
Outgoing Relation(s)
9-methoxyrebeccamycin (CHEBI:198851) is a indolocarbazole (CHEBI:51915)
IUPAC Name 
5,21-dichloro-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-7-methoxy-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
40257828ChemSpider