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13'-Hydroxy-gamma-tocotrienol

MNXM164057 is deprecated and replaced by MNXM33320
PropertiesImage
MNX_IDMNXM33320 Image of MNXM33320
referencechebi:231108
formulaC28H42O3
global charge0
mol weight426.641
InChIKeyBUWYMGRHXZROTQ-XYSSNJNPSA-N
InChIInChI=1S/C28H42O3/c1-20(12-8-13-22(3)19-29)10-7-11-21(2)14-9-16-28(6)17-15-25-18-26(30)23(4)24(5)27(25)31-28/h10,13-14,18,29-30H,7-9,11-12,15-17,19H2,1-6H3/b20-10+,21-14+,22-13+/t28-/m0/s1
SMILESCC1=C(C)C2=C(C=C1O)CC[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO)O2
MNX internals
InChI (mnx)InChI=1/C28H42O3/c1-20(12-8-13-22(3)19-29)10-7-11-21(2)14-9-16-28(6)17-15-25-18-26(30)23(4)24(5)27(25)31-28/h10,13-14,18,29-30H,7-9,11-12,15-17,19H2,1-6H3/b20-10+,21-14+,22-13+/t28-/m0/s1 Image of MNXM33320
SMILES (mnx)[CH3:1]/[C:20](=[CH:10]\[CH2:7][CH2:11]/[C:21]([CH3:2])=[CH:14]/[CH2:9][CH2:16][C@@:28]1([CH3:6])[CH2:17][CH2:15][C:25]2=[CH:18][C:26]([OH:30])=[C:23]([CH3:4])[C:24]([CH3:5])=[C:27]2[O:31]1)[CH2:12][CH2:8]/[CH:13]=[C:22](\[CH3:3])[CH2:19][OH:29]
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

CHEBI:231108
chebi:231108
BUWYMGRHXZROTQ-XYSSNJNPSA-N 		13'-Hydroxy-gamma-tocotrienol
(2S)-2-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,7,8-trimethyl-3,4-dihydrochromen-6-ol
hmdb:HMDB0012562
BUWYMGRHXZROTQ-XYSSNJNPSA-N 		13'-Hydroxy-gamma-tocotrienol
(2S)-2-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,7,8-trimethyl-3,4-dihydro-1-benzopyran-6-ol
(2S)-2-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-6-ol
13'-Hydroxy-g-tocotrienol
13OHgammaTE

bigg.metabolite:CE7074
biggM:CE7074
BUWYMGRHXZROTQ-XYSSNJNPSA-N 		13'-hydroxy-gama-tocotrienol

vmhM:CE7074
vmhmetabolite:CE7074
BUWYMGRHXZROTQ-XYSSNJNPSA-N 		13-hydroxy-gama-tocotrienol
(2S)-2-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-6-ol

hmdb:HMDB12562
biggM:M_CE7074
vmhM:M_CE7074 		secondary/obsolete/fantasy identifier