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CHEBI:218258 - 16-ketopremarineosin A

ChEBI IDCHEBI:218258
ChEBI Name16-ketopremarineosin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31N3O3
Net Charge0
Average Mass421.541
Monoisotopic Mass421.23654
SMILESCOC1=CC(c2cccn2)=NC12O[C@@H](C)C[C@@H]1CCCCC(=O)CCc3ccc(n3)[C@H]12
InChIInChI=1S/C25H31N3O3/c1-16-14-17-6-3-4-7-19(29)11-9-18-10-12-21(27-18)24(17)25(31-16)23(30-2)15-22(28-25)20-8-5-13-26-20/h5,8,10,12-13,15-17,24,26-27H,3-4,6-7,9,11,14H2,1-2H3/t16-,17-,24-,25?/m0/s1
InChIKeyGGQNIRCZPXJUJM-PADNOCOQSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CNQ-617 (ncbitaxon:483421) - PubMed (24575817)
ChEBI Ontology
Outgoing Relation(s)
16-ketopremarineosin A (CHEBI:218258) is a oxanes (CHEBI:46942)
IUPAC Name 
(2S,5S,7S)-3'-methoxy-5-methyl-5'-(1H-pyrrol-2-yl)spiro[4-oxa-18-azatricyclo[13.2.1.02,7]octadeca-1(17),15-diene-3,2'-pyrrole]-12-one
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58196809ChemSpider