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cannabigerolate

Properties

Image

Occurences in reactions

MNX_ID

MNXM7146

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₂₂H₃₁O₄

charge

-1

mass

359.22278

reference

InChIKey

SEEZIOZEUUMJME-FOWTUZBSSA-M

InChI

InChI=1S/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/p-1/b16-12+

SMILES

CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:66962 chebi:66962	cannabigerolate 3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxy-6-pentylbenzoate cannabigerolate anion cannabigerolate(1-)
seed.compound:cpd24739 seedM:cpd24739	CBGA Cannabigerolate cannabigerolate cannabigerolic acid
kegg.compound:C20406 keggC:C20406	Cannabigerolate CBGA
metacyc.compound:CPD-7166 metacycM:CPD-7166	cannabigerolate CBGA cannabigerolic acid
CHEBI:67081 chebi:67081	cannabigerolic acid (E)-3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-pentylbenzoic acid 3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxy-6-pentylbenzoic acid
keggC:M_C20406 seedM:M_cpd24739	secondary/obsolete/fantasy identifier