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alpha-CEHC

MNXM22485 is deprecated and here replaced by MNXM730635
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM730635 Image of MNXM730635
referencechebi:88427
formulaC16H22O4
global charge0
mol weight278.348
InChIKeyAXODOWFEFKOVSH-UHFFFAOYSA-N
InChIInChI=1S/C16H22O4/c1-9-10(2)15-12(11(3)14(9)19)5-7-16(4,20-15)8-6-13(17)18/h19H,5-8H2,1-4H3,(H,17,18)
SMILESCC1=C(C)C2=C(CCC(C)(CCC(=O)O)O2)C(C)=C1O
MNX internals
InChI (mnx)InChI=1/C16H22O4/c1-9-10(2)15-12(11(3)14(9)19)5-7-16(4,20-15)8-6-13(17)18/h19H,5-8H2,1-4H3,(H,17,18)/t16? Image of MNXM730635
SMILES (mnx)[CH3:1][C:9]1=[C:14]([OH:19])[C:11]([CH3:3])=[C:12]2[CH2:5][CH2:7][C:16]([CH3:4])([CH2:8][CH2:6][C:13](=[O:17])[OH:18])[O:20][C:15]2=[C:10]1[CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:88427
chebi:88427
AXODOWFEFKOVSH-UHFFFAOYSA-N 		alpha-CEHC
2,5,7,8-Tetramethyl-2-(2'-carboxyethyl)-6-hydroxychroman
3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acid
6-Hydroxy-2,5,7,8-tetramethyl-2-Chromanpropionic acid
6-Hydroxy-2-(2-carboxylethyl)-2,5,7,8-tetramethylchroman
6-Hydroxy-2-carboxylethyl-2,5,7,8-tetramethylchroman

bigg.metabolite:CE1925
biggM:CE1925
AXODOWFEFKOVSH-UHFFFAOYSA-M 		3'-carboxy-alpha-chromanol

vmhM:CE1925
vmhmetabolite:CE1925
AXODOWFEFKOVSH-UHFFFAOYSA-M 		3-carboxy-alpha-chromanol
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
hmdb:HMDB0001518
AXODOWFEFKOVSH-UHFFFAOYSA-N 		alpha-CEHC
2,5,7,8-Tetramethyl-2(2'-carboxyethyl)-6-hydroxychroman
2,5,7,8-Tetramethyl-2-(beta-carboxyethyl)-6-hydroxychroman
3-(6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoate
3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acid
6-Hydroxy-2-(2-carboxylethyl)-2,5,7,8-tetramethylchroman
6-Hydroxy-2-carboxylethyl-2,5,7,8-tetramethylchroman
a-CEHC
alpha-Carboxyethyl hydrochroman
alpha-cehc

seed.compound:cpd23163
seedM:cpd23163
AXODOWFEFKOVSH-UHFFFAOYSA-M 		alpha-CEHC
alpha-carboxyethylhydroxychroman

metacyc.compound:CPD-11962
metacycM:CPD-11962
AXODOWFEFKOVSH-UHFFFAOYSA-N 		alpha-carboxyethylhydroxychroman
alpha-CEHC

hmdb:HMDB01518
biggM:M_CE1925
seedM:M_cpd23163
vmhM:M_CE1925 		secondary/obsolete/fantasy identifier