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CHEBI:214222 - Versicamide E

ChEBI IDCHEBI:214222
ChEBI NameVersicamide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H27N3O5
Net Charge0
Average Mass461.518
Monoisotopic Mass461.19507
SMILESCC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C(C)(C)/C=C\N4C(=O)C5=CCCN5C(=O)[C@@H]4C[C@@]23O)O1
InChIInChI=1S/C26H27N3O5/c1-24(2)11-13-28-18(22(31)27-12-5-6-17(27)21(28)30)14-26(32)16-7-8-19-15(9-10-25(3,4)34-19)20(16)29(33)23(24)26/h6-11,13,18,32H,5,12,14H2,1-4H3/b13-11-/t18-,26-/m0/s1
InChIKeyWNCZDOBANLPQAP-KEKBPSKSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25089636)
ChEBI Ontology
Outgoing Relation(s)
Versicamide E (CHEBI:214222) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1S,3S,12Z)-1-hydroxy-14,14,21,21-tetramethyl-16-oxido-22-oxa-5,11-diaza-16-azoniahexacyclo[13.11.0.03,11.05,9.017,26.018,23]hexacosa-8,12,15,17(26),18(23),19,24-heptaene-4,10-dione
Manual XrefsDatabases
34981339ChemSpider