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8alpha-hydroxy-gama-tocopherone

Properties

Image

Occurences in reactions

MNX_ID

MNXM151611

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

formula

C₂₈H₄₈O₃

charge

mass

432.36035

reference

biggM:CE7101

InChIKey

CSHBKBJSGSRKLB-MPPVQRIUSA-N

InChI

InChI=1S/C28H48O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-27(7)18-16-25-19-26(29)23(5)24(6)28(25,30)31-27/h19-22,30H,8-18H2,1-7H3/t21-,22-,27-,28-/m0/s1

SMILES

CC1=C(C)[C@]2(O)O[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CCC2=CC1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE7101 biggM:CE7101	8alpha-hydroxy-gama-tocopherone
hmdb:HMDB0060143	8alpha-Hydroxy-gama-tocopherone (2S,8aR)-8a-hydroxy-2,7,8-trimethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4,6,8a-tetrahydro-2H-1-benzopyran-6-one (2S,8aR)-8a-hydroxy-2,7,8-trimethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-1-benzopyran-6-one 8a-Hydroxy-gama-tocopherone 8alpha-hydroxy-gama-tocopherone
hmdb:HMDB60143 biggM:M_CE7101	secondary/obsolete/fantasy identifier