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13'-hydroxy-gama-tocotrienol

Properties

Image

Occurences in reactions

MNX_ID

MNXM33320

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	2

formula

C₂₈H₄₂O₃

charge

mass

426.3134

reference

biggM:CE7074

InChIKey

BUWYMGRHXZROTQ-XYSSNJNPSA-N

InChI

InChI=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

SMILES

C/C(=C\CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1)CO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE7074 biggM:CE7074	13'-hydroxy-gama-tocotrienol
hmdb:HMDB0012562	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
hmdb:HMDB12562 biggM:M_CE7074	secondary/obsolete/fantasy identifier