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13-epi-manool

Properties

Image

Occurences in reactions

MNX_ID

MNXM97644

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

formula

C₂₀H₃₄O

charge

mass

290.26097

reference

InChIKey

CECREIRZLPLYDM-RAUXBKROSA-N

InChI

InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19+,20+/m0/s1

SMILES

C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76944 chebi:76944	13-epi-manool (13S)-labda-8(17),14-dien-13-ol (13S)-manool (3S)-3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-1-en-3-ol (5S,9S,10S,13S)-labda-8(17),14-dien-13-ol labda-8(17),14-dien-13(S)-ol
metacyc.compound:CPD-14029 metacycM:CPD-14029 seed.compound:cpd24129 seedM:cpd24129	13-epi-manool
seedM:M_cpd24129	secondary/obsolete/fantasy identifier