cannabidiolate

Chemical Formula:

C₂₂H₂₉O₄

Molecular Weight:

357.469 Daltons

Monoisotopic Mass:

358.2144094514 Daltons

SMILES:

CCCCCC1(C(C(=O)[O-])=C(O)C(=C(O)C=1)[CH]2([CH](C(=C)C)CCC(C)=C2))

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

InChIKey:

WVOLTBSCXRRQFR-DLBZAZTESA-M

Synonyms

3-p-mentha-1,8-dien-3-yl-6-pentyl-beta-resorcylic acid
CBDA
cannabidiolic acid
2,4-dihydroxy-3-[(6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoate

Databases

MetaCyc: CPD-7170

ChEBI: 67136

PubChem (CID): 54740359 70678892

KEGG: C10784

Seed: cpd07670

MetaNetX: MNXM45385