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beta-tocopherol

Properties

Image

Occurences in reactions

MNX_ID

MNXM4488

	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	8

formula

C₂₈H₄₈O₂

charge

mass

416.36543

reference

InChIKey

WGVKWNUPNGFDFJ-DQCZWYHMSA-N

InChI

InChI=1S/C28H48O2/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/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1

SMILES

Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:47771 chebi:47771	beta-tocopherol (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol (2R)-3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol (2R,4'R,8'R)-beta-tocopherol (R,R,R)-beta-tocopherol 5,8-dimethyltocol RRR-beta-tocopherol beta-Tocopherol
bigg.metabolite:bvite biggM:bvite	Beta-Tocopherol
kegg.compound:C14152 keggC:C14152	beta-Tocopherol
hmdb:HMDB0006335	beta-Tocopherol (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol (2R)-3,4-Dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol 2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol 3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12- trimethyltridecyl)-2H-1-benzopyran-6-ol 5,8-Dimethyltocol Cumotocopherol DL-beta-Tocopherol Neotocopherol b-Tocopherol b-Tocopherol skeleton beta Tocopherol beta-tocopherol beta-tocopherol skeleton p-Xylotocopherol
seed.compound:cpd09851 seedM:cpd09851	beta-Tocopherol 5,8-dimethyltocol beta-tocopherol
metacyc.compound:BETA-TOCOPHEROL metacycM:BETA-TOCOPHEROL	beta-tocopherol 5,8-dimethyltocol
hmdb:HMDB06335 chebi:22855 chebi:35069 biggM:M_bvite keggC:M_C14152 seedM:M_cpd09851	secondary/obsolete/fantasy identifier