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CHEBI:210873 - 17-epi-notoamide M

ChEBI IDCHEBI:210873
ChEBI Name17-epi-notoamide M
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31N3O5
Net Charge0
Average Mass465.550
Monoisotopic Mass465.22637
SMILESC=CC(C)(C)[C@]1(C[C@@H]2NC(=O)[C@@]3(O)CCCN3C2=O)C(=O)Nc2c1ccc1c2C=CC(C)(C)O1
InChIInChI=1S/C26H31N3O5/c1-6-23(2,3)25(14-17-20(30)29-13-7-11-26(29,33)22(32)27-17)16-8-9-18-15(19(16)28-21(25)31)10-12-24(4,5)34-18/h6,8-10,12,17,33H,1,7,11,13-14H2,2-5H3,(H,27,32)(H,28,31)/t17-,25-,26-/m0/s1
InChIKeyGRGBTCMGCXJTOO-ODKGLIOUSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (23527875)
ChEBI Ontology
Outgoing Relation(s)
17-epi-notoamide M (CHEBI:210873) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3S,8aS)-3-[[(3S)-7,7-dimethyl-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-pyrano[2,3-g]indol-3-yl]methyl]-8a-hydroxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
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