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CHEBI:219177 - Asperversiamide E

ChEBI IDCHEBI:219177
ChEBI NameAsperversiamide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29N3O3
Net Charge0
Average Mass431.536
Monoisotopic Mass431.22089
SMILESCC1(C)C=Cc2cc3c4c(nc3cc2O1)C(C)(C)[C@H]1C[C@]23CCCN2C(=O)[C@@]1(C4)NC3=O
InChIInChI=1S/C26H29N3O3/c1-23(2)8-6-14-10-15-16-12-26-19(24(3,4)20(16)27-17(15)11-18(14)32-23)13-25(21(30)28-26)7-5-9-29(25)22(26)31/h6,8,10-11,19,27H,5,7,9,12-13H2,1-4H3,(H,28,30)/t19-,25+,26+/m1/s1
InChIKeyVQSGPNFTKPKYOS-PBXQCXKZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (30016097)
ChEBI Ontology
Outgoing Relation(s)
Asperversiamide E (CHEBI:219177) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(1S,17R,19S)-9,9,16,16-tetramethyl-10-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.06,11.019,23]hexacosa-3(15),4(13),5,7,11-pentaene-24,26-dione
Manual XrefsDatabases
68007498ChemSpider