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gamma-CEHC

PropertiesImage
MNX_IDMNXM54295 Image of MNXM54295
referencechebi:89379
formulaC15H20O4
global charge0
mol weight264.321
InChIKeyVMJQLPNCUPGMNQ-UHFFFAOYSA-N
InChIInChI=1S/C15H20O4/c1-9-10(2)14-11(8-12(9)16)4-6-15(3,19-14)7-5-13(17)18/h8,16H,4-7H2,1-3H3,(H,17,18)
SMILESCC1=C(C)C2=C(C=C1O)CCC(C)(CCC(=O)O)O2
MNX internals
InChI (mnx)InChI=1/C15H20O4/c1-9-10(2)14-11(8-12(9)16)4-6-15(3,19-14)7-5-13(17)18/h8,16H,4-7H2,1-3H3,(H,17,18)/t15? Image of MNXM54295
SMILES (mnx)[CH3:1][C:9]1=[C:12]([OH:16])[CH:8]=[C:11]2[CH2:4][CH2:6][C:15]([CH3:3])([CH2:7][CH2:5][C:13](=[O:17])[OH:18])[O:19][C:14]2=[C:10]1[CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:89379
chebi:89379
VMJQLPNCUPGMNQ-UHFFFAOYSA-N 		gamma-CEHC
2,7,8-trimethyl-2-(2'-carboxyethyl)-6-hydroxychromane
2,7,8-trimethyl-2-(beta-carboxyethyl)-6-hydroxychromane
3,4-dihydro-6-hydroxy-2,7,8-trimethyl-2H-1-benzopyran-2-propanoic acid
3-(2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acid
3-(2,7,8-trimethyl-chroman-2-yl)-propionic acid
3-(6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acid
3-(6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-chromen-2-yl)propanoic acid

bigg.metabolite:CE1926
biggM:CE1926
VMJQLPNCUPGMNQ-UHFFFAOYSA-M 		Gama-carboxyethyl-hydroxychroman

vmhM:CE1926
vmhmetabolite:CE1926
VMJQLPNCUPGMNQ-UHFFFAOYSA-M 		gama-carboxyethyl-hydroxychroman
3-(6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acid
hmdb:HMDB0001931
VMJQLPNCUPGMNQ-UHFFFAOYSA-N 		gamma-CEHC
(+/-)-llu-alpha
2,7,8-Trimethyl-2-(beta-carboxyethyl)-6-hydroxychroman
3'-Carboxychromanol
3-(2,7,8-Trimethyl-3,4-dihydro-2H-chromen-2-yl)propanoate
3-(6-Hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoate
3-(6-hydroxy-2,7,8-trimethyl-3,4-dihydro-1-benzopyran-2-yl)propanoic acid
3-(6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acid
LLU-alpha
S-LLU-alpha
g-CEHC
gamma-Carboxyethyl hydroxychroman
gamma-Carboxyethyl-hydroxychroman
gamma-cehc

hmdb:HMDB01931
biggM:M_CE1926
vmhM:M_CE1926 		secondary/obsolete/fantasy identifier