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CHEBI:225820 - Propyl-metacyclooctylprodiginine

ChEBI IDCHEBI:225820
ChEBI NamePropyl-metacyclooctylprodiginine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33N3O
Net Charge0
Average Mass391.559
Monoisotopic Mass391.26236
SMILESCCC[C@H]1CCCCCCCc2cc1c(C=C1N=C(c3cccn3)C=C1OC)n2
InChIInChI=1S/C25H33N3O/c1-3-10-18-11-7-5-4-6-8-12-19-15-20(18)22(27-19)16-24-25(29-2)17-23(28-24)21-13-9-14-26-21/h9,13-18,26-27H,3-8,10-12H2,1-2H3/t18-/m0/s1
InChIKeySUCJIWLGPPRFRF-SFHVURJKSA-N
ChEBI Ontology
Outgoing Relation(s)
Propyl-metacyclooctylprodiginine (CHEBI:225820) is a dipyrrins (CHEBI:36749)
IUPAC Name 
12-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2-propyl-11-azabicyclo[8.2.1]trideca-1(12),10(13)-diene
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