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beta-tocotrienol

Properties

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Occurences in reactions

MNX_ID

MNXM44182

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₂₈H₄₂O₂

charge

mass

410.31848

reference

chebi:33275

InChIKey

FGYKUFVNYVMTAM-WAZJVIJMSA-N

InChI

InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1

SMILES

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:33275 chebi:33275	beta-tocotrienol (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol (2R)-3,4-dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol epsilon-tocopherol
kegg.compound:C14154 keggC:C14154	beta-Tocotrienol
seed.compound:cpd09853 seedM:cpd09853	beta-Tocotrienol beta-tocotrienol
metacyc.compound:CPD-15837 metacycM:CPD-15837	beta-tocotrienol
lipidmaps:LMPR02020055 lipidmapsM:LMPR02020055	beta-tocotrienol (2R)-3,4-dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol 2R,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol beta-tocotrienol epsilon-tocopherol
chebi:35070 keggC:M_C14154 seedM:M_cpd09853	secondary/obsolete/fantasy identifier