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CHEBI:220442 - Nocardioazine A

ChEBI IDCHEBI:220442
ChEBI NameNocardioazine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H30N4O3
Net Charge0
Average Mass482.584
Monoisotopic Mass482.23179
SMILESCN1c2ccccc2[C@@]23C[C@H]4C(=O)N5[C@H]6N(C[C@@]7(C)O[C@@H]7C2)c2ccccc2[C@@]6(C)C[C@H]5C(=O)N4[C@H]13
InChIInChI=1S/C29H30N4O3/c1-27-12-20-23(34)33-21-13-29(17-9-5-6-10-18(17)30(3)26(29)33)14-22-28(2,36-22)15-31(25(27)32(20)24(21)35)19-11-7-4-8-16(19)27/h4-11,20-22,25-26H,12-15H2,1-3H3/t20-,21-,22+,25+,26-,27+,28+,29+/m0/s1
InChIKeyPDJPTLULWLWJLP-CMKVVGJQSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsisspecies CMB-M0232 (ncbitaxon:1231934) - PubMed (21513295)
ChEBI Ontology
Outgoing Relation(s)
Nocardioazine A (CHEBI:220442) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,3R,5R,14R,16S,19S,21S,31R)-5,14,22-trimethyl-4-oxa-7,17,20,22-tetrazanonacyclo[17.9.1.17,14.116,20.01,21.03,5.08,13.023,28.017,31]hentriaconta-8,10,12,23,25,27-hexaene-18,30-dione
Manual XrefsDatabases
25991462ChemSpider