HMDB0031028 RDKit 3D Methyl (E)-2-dodecenoate 39 38 0 0 0 0 0 0 0 0999 V2000 -5.8024 1.3571 1.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7897 -0.0270 0.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 -0.2362 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3112 -0.0407 0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2752 -0.2784 -0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 -0.1045 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0697 -0.3644 -1.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -0.2282 -0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -1.1955 0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3605 -1.0327 0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1327 -0.1586 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5547 0.0009 0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0164 -0.7470 1.2444 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3539 0.9165 -0.2763 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7181 1.0262 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0152 1.5247 2.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7630 2.0798 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8204 1.5016 1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8232 -0.8184 1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7403 -0.1210 0.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7276 -1.2920 -0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7519 0.4641 -0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2238 1.0322 0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1349 -0.6588 1.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4486 0.4539 -1.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3939 -1.3314 -0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7339 0.9484 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6639 -0.8023 0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1732 -1.3542 -1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1495 0.3733 -1.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7371 0.8054 -0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1081 -0.4460 -1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6757 -2.2292 0.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -0.9146 1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7691 -1.6704 1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7339 0.4838 -0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1911 0.0279 -0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8408 1.2337 1.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2362 1.8223 -0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 M END