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CHEBI:201268 - Penioxamide A

ChEBI IDCHEBI:201268
ChEBI NamePenioxamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H35N3O
Net Charge0
Average Mass417.597
Monoisotopic Mass417.27801
SMILESCC(C)=CCc1cccc2c3c(nc12)C(C)(C)[C@H]1C[C@]24CCCCN2C[C@@]1(C3)NC4=O
InChIInChI=1S/C27H35N3O/c1-17(2)10-11-18-8-7-9-19-20-14-26-16-30-13-6-5-12-27(30,24(31)29-26)15-21(26)25(3,4)23(20)28-22(18)19/h7-10,21,28H,5-6,11-16H2,1-4H3,(H,29,31)/t21-,26-,27+/m1/s1
InChIKeyHUWKBOGWFSCPBJ-ZFWHIUCFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.phytol.2015.06.009)
ChEBI Ontology
Outgoing Relation(s)
Penioxamide A (CHEBI:201268) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(1S,13R,15S)-12,12-dimethyl-8-(3-methylbut-2-enyl)-10,20,22-triazahexacyclo[13.6.2.01,13.03,11.04,9.015,20]tricosa-3(11),4,6,8-tetraen-23-one
Manual XrefsDatabases
44210880ChemSpider