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CHEBI:222258 - 4'-Demethylamino-4'-nitro-staurosporine

ChEBI IDCHEBI:222258
ChEBI Name4'-Demethylamino-4'-nitro-staurosporine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H22N4O5
Net Charge0
Average Mass482.496
Monoisotopic Mass482.15902
SMILESCO[C@@H]1[C@@H]([N+](=O)[O-])C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
InChIInChI=1S/C27H22N4O5/c1-27-25(35-2)18(31(33)34)11-19(36-27)29-16-9-5-3-7-13(16)21-22-15(12-28-26(22)32)20-14-8-4-6-10-17(14)30(27)24(20)23(21)29/h3-10,18-19,25H,11-12H2,1-2H3,(H,28,32)/t18-,19+,25+,27-/m0/s1
InChIKeyJKMSTDRLBRMIJT-GNIPNZNASA-N
Species of MetaboliteComponentSourceComments
Streptomyces longisporoflavus (ncbitaxon:28044) - PubMed (7706124)
ChEBI Ontology
Outgoing Relation(s)
4'-Demethylamino-4'-nitro-staurosporine (CHEBI:222258) is a indolocarbazole (CHEBI:51915)
IUPAC Name 
(2S,3R,4S,6R)-3-methoxy-2-methyl-4-nitro-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
Manual XrefsDatabases
9929683ChemSpider