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CHEBI:182668 - (3S)-3-[[2,2-Dimethyl-7-(2-methylbut-3-en-2-yl)-8H-pyrano[3,2-f]indol-6-yl]methyl]-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione

ChEBI IDCHEBI:182668
ChEBI Name(3S)-3-[[2,2-Dimethyl-7-(2-methylbut-3-en-2-yl)-8H-pyrano[3,2-f]indol-6-yl]methyl]-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29N3O3
Net Charge0
Average Mass431.536
Monoisotopic Mass431.22089
SMILESC=CC(C)(C)c1nc2cc3c(cc2c1C[C@@H]1NC(=O)C2=CCCN2C1=O)C=CC(C)(C)O3
InChIInChI=1S/C26H29N3O3/c1-6-25(2,3)22-17(13-19-24(31)29-11-7-8-20(29)23(30)28-19)16-12-15-9-10-26(4,5)32-21(15)14-18(16)27-22/h6,8-10,12,14,19,27H,1,7,11,13H2,2-5H3,(H,28,30)/t19-/m0/s1
InChIKeyOFQKTZRDRXZBON-IBGZPJMESA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-3-[[2,2-Dimethyl-7-(2-methylbut-3-en-2-yl)-8H-pyrano[3,2-f]indol-6-yl]methyl]-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione (CHEBI:182668) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3S)-3-[[2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-8H-pyrano[3,2-]indol-6-yl]methyl]-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
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29214935ChemSpider