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cannabidiolate

Properties

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Occurences in reactions

MNX_ID

MNXM45385

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₂H₂₉O₄

charge

-1

mass

357.20713

reference

chebi:67136

InChIKey

WVOLTBSCXRRQFR-DLBZAZTESA-M

InChI

InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/p-1/t16-,17+/m0/s1

SMILES

C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(C(=O)[O-])c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67136 chebi:67136	cannabidiolate 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoate CBDA cannabidiolate anion cannabidiolate(1-)
lipidmaps:LMPK13120003 lipidmapsM:LMPK13120003	Cannabidiolic acid
seed.compound:cpd07670 seedM:cpd07670	Cannabidiolic acid 2,4-dihydroxy-3-[(6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoate 3-p-mentha-1,8-dien-3-yl-6-pentyl-beta-resorcylic acid CBDA Cannabidiolate cannabidiolate cannabidiolic acid
kegg.compound:C10784 keggC:C10784	Cannabidiolic acid Cannabidiolate
metacyc.compound:CPD-7170 metacycM:CPD-7170	cannabidiolate 2,4-dihydroxy-3-[(6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoate 3-p-mentha-1,8-dien-3-yl-6-pentyl-beta-resorcylic acid CBDA cannabidiolic acid
CHEBI:3359 chebi:3359	cannabidiolic acid 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoic acid 3-p-Mentha-1,8-dien-3-yl-6-pentyl-beta-resorcylic acid CBDA Cannabidiolic acid
keggC:M_C10784 seedM:M_cpd07670	secondary/obsolete/fantasy identifier