(Q27135640)

cannabidiolate (English)

7 October 2016

chemical formula

C₂₂H₂₉O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC1=CC(=C(C(=C1C(=O)O)[O-])C2C=C(CCC2C(=C)C)C)O

1 reference

cannabidiolate (English)

7 October 2016

isomeric SMILES

CCCCCC1=CC(=C(C(=C1C(=O)O)[O-])[C@@H]2C=C(CC[C@H]2C(=C)C)C)O

1 reference

cannabidiolate (English)

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

7 October 2016

Identifiers

InChI

1 reference

cannabidiolate (English)

WVOLTBSCXRRQFR-DLBZAZTESA-M

7 October 2016

InChIKey

2 references

cannabidiolate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2,4-Dihydroxy-3-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-6-pentylbenzoate (English)

7 October 2016

2 references

cannabidiolate (English)

matched by identifier from

7 October 2016

InChIKey

WVOLTBSCXRRQFR-DLBZAZTESA-M

ChEBI ID

67136

mapping relation type

2 references

cannabidiolate (English)