Marvin 08081215252D 26 26 0 0 0 0 999 V2000 -1.8268 0.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5413 0.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5413 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8268 -1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1123 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1123 0.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8268 1.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2557 -1.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 -1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3166 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 -1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7456 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -1.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 0.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 1.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3166 0.1473 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2557 0.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2557 1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9702 1.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9702 2.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6846 1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6846 0.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3991 0.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3991 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1136 -1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6846 -1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 1 7 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 6 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 1 2 1 0 0 0 0 2 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 16 -1 M END > CHEBI:66961 > cannabinerolate > A dihydroxybenzoate that is the conjugate base of cannabinerolic acid, obtained by deprotonation of the carboxy group. > 3 > cannabinerolate(1-); cannabinerolate anion; cannabinerolate > 3-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxy-6-pentylbenzoate > C22H31O4 > 359.47910 > 359.22278 > -1 > CCCCCc1cc(O)c(C\C=C(\C)CCC=C(C)C)c(O)c1C([O-])=O > 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- > SEEZIOZEUUMJME-VBKFSLOCSA-M > CPD-7175 > 9607329 $$$$