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CHEBI:218250 - Premarineosin A

ChEBI IDCHEBI:218250
ChEBI NamePremarineosin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33N3O2
Net Charge0
Average Mass407.558
Monoisotopic Mass407.25728
SMILESCOC1=CC(c2cccn2)=N[C@]12O[C@@H](C)C[C@@H]1CCCCCCCc3ccc(n3)[C@H]12
InChIInChI=1S/C25H33N3O2/c1-17-15-18-9-6-4-3-5-7-10-19-12-13-21(27-19)24(18)25(30-17)23(29-2)16-22(28-25)20-11-8-14-26-20/h8,11-14,16-18,24,26-27H,3-7,9-10,15H2,1-2H3/t17-,18-,24-,25-/m0/s1
InChIKeyIYXCTYVGDOJTOK-WBYKHBECSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CNQ-617 (ncbitaxon:483421) - PubMed (24575817)
ChEBI Ontology
Outgoing Relation(s)
Premarineosin A (CHEBI:218250) is a oxanes (CHEBI:46942)
IUPAC Name 
(2S,3R,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]
Manual XrefsDatabases
58196808ChemSpider