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4-epi-cubebol

Properties

Image

Occurences in reactions

MNX_ID

MNXM1374042

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

formula

C₁₅H₂₆O

charge

mass

222.372

reference

InChIKey

KONGRWVLXLWGDV-DEPYFDJDSA-N

InChI

InChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,15-/m0/s1

SMILES

[CH3:1][CH:9]([CH3:2])[C@H:11]1[CH2:6][CH2:5][C@H:10]([CH3:3])[C@:15]23[CH2:8][CH2:7][C@:14]([CH3:4])([OH:16])[C@H:13]2[C@H:12]13

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:138041 chebi:138041	4-epi-cubebol (+)-4-epi-cubebol (+)-4-epicubebol (3S,3aS,3bS,4R,7S,7aS)-3,7-dimethyl-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol (3S,3aS,3bS,4R,7S,7aS)-4-(2-hydroxypropan-2-yl)-7-methyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol
kegg.compound:C21690 keggC:C21690	4-epi-Cubebol (+)-4-epi-Cubebol (3S,3aS,3bR,4S,7S,7aS)-4-(2-Hydroxypropan-2-yl)-7-methyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol
seed.compound:cpd35792 seedM:cpd35792	4-epi-cubebol
keggC:M_C21690 seedM:M_cpd35792	secondary/obsolete/fantasy identifier