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Piperettine

PropertiesImage
MNX_IDMNXM129725 Image of MNXM129725
referencechebi:193552
formulaC19H21NO3
global charge0
mol weight311.381
InChIKeyDLKOUKNODPCIHZ-UMYWTXKFSA-N
InChIInChI=1S/C19H21NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h1-2,4-5,8-11,14H,3,6-7,12-13,15H2/b2-1+,8-4+,9-5+
SMILESO=C(/C=C/C=C/C=C/C1=CC2=C(C=C1)OCO2)N1CCCCC1
MNX internals
InChI (mnx)InChI=1/C19H21NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h1-2,4-5,8-11,14H,3,6-7,12-13,15H2/b2-1+,8-4+,9-5+ Image of MNXM129725
SMILES (mnx)[CH:1](=[CH:2]/[CH:5]=[CH:9]/[C:19]([N:20]1[CH2:12][CH2:6][CH2:3][CH2:7][CH2:13]1)=[O:21])\[CH:4]=[CH:8]\[C:16]1=[CH:14][C:18]2=[C:17]([CH:11]=[CH:10]1)[O:22][CH2:15][O:23]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:193552
chebi:193552
DLKOUKNODPCIHZ-UMYWTXKFSA-N 		Piperettine
(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhepta-2,4,6-trien-1-one
hmdb:HMDB0034371
DLKOUKNODPCIHZ-UMYWTXKFSA-N 		Piperettine
(2E,4E,6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hepta-2,4,6-trien-1-one
1-[7-(1,3-Benzodioxol-5-yl)-1-oxo-2,4,6-heptatrienyl]piperidine, 9ci
1-[7-(3,4-Methylenedioxyphenyl)heptatrienoyl]piperidine

hmdb:HMDB34371 		secondary/obsolete/fantasy identifier