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CHEBI:201949 - Notoamide E2

ChEBI IDCHEBI:201949
ChEBI NameNotoamide E2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33N3O5
Net Charge0
Average Mass467.566
Monoisotopic Mass467.24202
SMILESC=CC(C)(C)c1nc2c3c(ccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O)OC(C)(C)[C@H](O)[C@H]3O
InChIInChI=1S/C26H33N3O5/c1-6-25(2,3)21-14(12-15-24(33)29-11-7-8-16(29)23(32)27-15)13-9-10-17-18(19(13)28-21)20(30)22(31)26(4,5)34-17/h6,9-10,15-16,20,22,28,30-31H,1,7-8,11-12H2,2-5H3,(H,27,32)/t15-,16-,20-,22+/m0/s1
InChIKeyBVZYROIGCMYTBS-VPZAWKCMSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (19292484)
ChEBI Ontology
Outgoing Relation(s)
Notoamide E2 (CHEBI:201949) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3S,8aS)-3-[[(8R,9S)-8,9-dihydroxy-7,7-dimethyl-2-(2-methylbut-3-en-2-yl)-8,9-dihydro-1H-pyrano[2,3-g]indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Manual XrefsDatabases
27024427ChemSpider