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CHEBI:226949 - 17-O-ethylnotoamide M

ChEBI IDCHEBI:226949
ChEBI Name17-O-ethylnotoamide M
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35N3O5
Net Charge0
Average Mass493.604
Monoisotopic Mass493.25767
SMILESC=CC(C)(C)[C@]1(C[C@@H]2NC(=O)[C@]3(OCC)CCCN3C2=O)C(=O)Nc2c1ccc1c2C=CC(C)(C)O1
InChIInChI=1S/C28H35N3O5/c1-7-25(3,4)27(16-19-22(32)31-15-9-13-28(31,35-8-2)24(34)29-19)18-10-11-20-17(21(18)30-23(27)33)12-14-26(5,6)36-20/h7,10-12,14,19H,1,8-9,13,15-16H2,2-6H3,(H,29,34)(H,30,33)/t19-,27-,28+/m0/s1
InChIKeyDWTQPTOLNDFWFM-LVRGLSNDSA-N
ChEBI Ontology
Outgoing Relation(s)
17-O-ethylnotoamide M (CHEBI:226949) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3S,8aR)-3-[[(3S)-7,7-dimethyl-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-pyrano[2,3-g]indol-3-yl]methyl]-8a-ethoxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
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