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CHEBI:217873 - Notoamide E4

ChEBI IDCHEBI:217873
ChEBI NameNotoamide E4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29N3O4
Net Charge0
Average Mass447.535
Monoisotopic Mass447.21581
SMILESC=CC(C)(C)C1=Nc2c(ccc3c2C=CC(C)(C)O3)C(=O)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N12
InChIInChI=1S/C26H29N3O4/c1-6-25(2,3)24-27-21-15(9-10-20-16(21)11-12-26(4,5)33-20)19(30)14-18-22(31)28-13-7-8-17(28)23(32)29(18)24/h6,9-12,17-18H,1,7-8,13-14H2,2-5H3/t17-,18-/m0/s1
InChIKeyAZQGSTRZXXOHLT-ROUUACIJSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (19292484)
ChEBI Ontology
Outgoing Relation(s)
Notoamide E4 (CHEBI:217873) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(4S,10S)-19,19-dimethyl-13-(2-methylbut-3-en-2-yl)-20-oxa-6,12,14-triazapentacyclo[13.8.0.04,12.06,10.016,21]tricosa-1(15),13,16(21),17,22-pentaene-2,5,11-trione