HMDB0032245 RDKit 3D Divanillin 36 37 0 0 0 0 0 0 0 0999 V2000 -4.9099 0.3008 -2.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9657 0.7212 -1.5882 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7837 0.0278 -1.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4856 -1.0507 -2.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2755 -1.7323 -2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9587 -2.8775 -2.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1172 -3.4904 -2.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3712 -1.3151 -1.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6586 -0.2203 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3624 0.1325 0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.2601 1.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0016 0.5678 2.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6606 0.7124 4.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5384 0.9861 5.1094 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3013 0.7311 2.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 0.6058 1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 0.7624 0.6666 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1043 1.0633 1.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6685 0.2994 0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 0.1707 -1.1199 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8463 0.4287 -0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1488 1.5337 0.2697 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4235 0.3520 -3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8289 0.9201 -2.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2178 -0.7517 -2.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1874 -1.3869 -3.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6728 -3.1859 -3.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5957 -1.8405 -1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 0.1346 2.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 0.5891 4.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1113 0.9752 3.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0263 0.9187 2.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4901 2.0935 1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9347 0.3752 1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9739 0.2864 -1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5204 1.9025 0.9528 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 4 5 1 0 5 6 1 0 6 7 2 0 5 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 12 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 16 19 2 0 19 20 1 0 9 21 2 0 21 22 1 0 21 3 1 0 19 10 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 6 27 1 0 8 28 1 0 11 29 1 0 13 30 1 0 15 31 1 0 18 32 1 0 18 33 1 0 18 34 1 0 20 35 1 0 22 36 1 0 M END