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CHEBI:197655 - VM-55599

ChEBI IDCHEBI:197655
ChEBI NameVM-55599
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27N3O
Net Charge0
Average Mass349.478
Monoisotopic Mass349.21541
SMILESC[C@@H]1CCN2C[C@]34Cc5c(nc6ccccc56)C(C)(C)[C@@H]3C[C@]12C(=O)N4
InChIInChI=1S/C22H27N3O/c1-13-8-9-25-12-21-10-15-14-6-4-5-7-16(14)23-18(15)20(2,3)17(21)11-22(13,25)19(26)24-21/h4-7,13,17,23H,8-12H2,1-3H3,(H,24,26)/t13-,17+,21-,22-/m1/s1
InChIKeyFBXHMCWNISYEEV-FXQDWMKTSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (8226314)
ChEBI Ontology
Outgoing Relation(s)
VM-55599 (CHEBI:197655) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(1S,13S,15R,16R)-12,12,16-trimethyl-10,19,21-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4,6,8-tetraen-22-one