HMDB0059722 RDKit 3D Mono-methyl-adipate 23 22 0 0 0 0 0 0 0 0999 V2000 4.4790 0.9188 -0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3258 0.1960 -0.6467 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1041 0.3172 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9315 1.1055 0.8944 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9712 -0.4969 -0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2999 -0.2279 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4032 -1.0953 -0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7211 -0.9332 0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2726 0.4347 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.3658 -0.3401 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4797 0.7077 0.8846 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8243 0.7004 0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2149 1.9990 -0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2672 0.7702 -1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2402 -1.5673 -0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 -0.2653 -1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5451 0.8359 0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1056 -0.5568 1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -2.1627 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5652 -0.8735 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 -1.5918 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7085 -1.2207 1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7467 1.6405 1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 6 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 11 23 1 0 M END