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13'-hydroxy-gama-tocopherol

Properties

Image

Occurences in reactions

MNX_ID

MNXM33319

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	4

formula

C₂₈H₄₈O₃

charge

mass

432.36035

reference

biggM:CE5655

InChIKey

QNBPVJMQPAQXML-SLGTZZLGSA-N

InChI

InChI=1S/C28H48O3/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/h18,20-22,29-30H,7-17,19H2,1-6H3/t20-,21+,22?,28-/m1/s1

SMILES

Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CO)CC2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE5655 biggM:CE5655	13'-hydroxy-gama-tocopherol
hmdb:HMDB0012561	13'-Hydroxy-gamma-tocopherol (2R)-2-[(4S,8R)-13-hydroxy-4,8,12-trimethyltridecyl]-2,7,8-trimethyl-3,4-dihydro-1-benzopyran-6-ol (2R)-2-[(4S,8R)-13-hydroxy-4,8,12-trimethyltridecyl]-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-6-ol 13'-Hydroxy-g-tocopherol 13'-OH-Tocopherol
hmdb:HMDB12561 biggM:M_CE5655	secondary/obsolete/fantasy identifier