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5-oxo-EPE

PropertiesImage
MNX_IDMNXM164348 Image of MNXM164348
referencebiggM:CE7111
formulaC20H27O3
global charge-1
mol weight315.433
InChIKeyKVLNCELNGBMHDX-UHFFFAOYSA-M
InChIInChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/p-1
SMILESCCC=CCC=CCC=CCC=CC=CC(=O)CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3?,7-6?,10-9?,13-12?,16-14? Image of MNXM164348
SMILES (mnx)[CH3:1][CH2:2][CH:3]=[CH:4][CH2:5][CH:6]=[CH:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH:14]=[CH:16][C:19]([CH2:17][CH2:15][CH2:18][C:20](=[O:22])[OH:23])=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE7111
biggM:CE7111
vmhM:CE7111
vmhmetabolite:CE7111
KVLNCELNGBMHDX-UHFFFAOYSA-M 		5-oxo-EPE

biggM:M_CE7111
vmhM:M_CE7111 		secondary/obsolete/fantasy identifier