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CHEBI:185964 - (E)-2-methyl-4-((3aS)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)but-2-en-1-ol

ChEBI IDCHEBI:185964
ChEBI Name(E)-2-methyl-4-((3aS)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)but-2-en-1-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22N2O
Net Charge0
Average Mass258.365
Monoisotopic Mass258.17321
SMILESC/C(=C\C[C@@]12CCN(C)C1Nc1ccccc12)CO
InChIInChI=1S/C16H22N2O/c1-12(11-19)7-8-16-9-10-18(2)15(16)17-14-6-4-3-5-13(14)16/h3-7,15,17,19H,8-11H2,1-2H3/b12-7+/t15?,16-/m0/s1
InChIKeyYUFJTBNXHFFQKN-OLCBDTNHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(E)-2-methyl-4-((3aS)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)but-2-en-1-ol (CHEBI:185964) is a citraconoyl group (CHEBI:23315)
IUPAC Name 
(E)-4-[(8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-2-methylbut-2-en-1-ol
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8190963ChemSpider