CHEBI:220442 - Nocardioazine A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Nocardioazine A
ChEBI ID CHEBI:220442
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H30N4O3
Net Charge 0
Average Mass 482.584
Monoisotopic Mass 482.23179
InChI InChI=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
InChIKey PDJPTLULWLWJLP-CMKVVGJQSA-N
SMILES O=C1N2[C@H]3N4C=5C=CC=CC5[C@@]3(C)C[C@H]2C(=O)N6[C@H]1C[C@]7(C=8C=CC=CC8N([C@@H]67)C)C[C@@H]9[C@@](C4)(O9)C
Metabolite of Species Details
Nocardiopsisspecies CMB-M0232 (NCBI:txid1231934) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
25991462 ChemSpider
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