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cannabidiol

MNXM103492 is deprecated and here replaced by MNXM726153
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM726153

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

formula

C₂₁H₃₀O₂

charge

mass

314.22458

reference

InChIKey

QHMBSVQNZZTUGM-ZWKOTPCHSA-N

InChI

InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1

SMILES

C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:69478 chebi:69478	cannabidiol (-)-CBD (-)-cannabidiol (-)-trans-2-p-mentha-1,8-dien-3-yl-5-pentylresorcinol (-)-trans-cannabidiol (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol Delta(1(2))-trans-cannabidiol cannabidiolum
kegg.drug:D10915 keggD:D10915	Cannabidiol (USAN/INN) Epidiolex (TN)
seed.compound:cpd04746 seedM:cpd04746	Cannabidiol 2-(3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol CBD cannabidiol
kegg.compound:C07578 keggC:C07578	Cannabidiol CBD
metacyc.compound:CPD-7173 metacycM:CPD-7173	cannabidiol 2-(3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol CBD
chebi:3358 keggC:M_C07578 keggD:M_D10915 seedM:M_cpd04746	secondary/obsolete/fantasy identifier