HMDB0001388 RDKit 3D alpha-Linolenic acid 50 49 0 0 0 0 0 0 0 0999 V2000 -8.3044 0.9772 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5366 0.5811 0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9361 -0.7218 0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6605 -0.9439 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6012 0.0787 0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 -0.3389 1.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6156 -0.5780 1.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8226 -0.4490 0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 0.5682 0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5062 0.3892 0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1119 -0.8999 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -0.7910 -0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 0.2128 -0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9535 -0.1577 0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0534 0.8720 0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8647 0.9524 -0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5327 -0.3449 -1.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4449 -0.7382 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9769 -1.2031 0.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8097 -0.5999 -0.2619 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5779 1.2379 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9030 1.8750 -0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9564 0.1453 -1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9400 1.4352 0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3928 0.4335 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6135 -1.5577 -0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3237 -1.9850 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1301 1.0543 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0988 0.2474 -0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5056 -0.4351 2.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0869 -0.8917 2.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -1.4728 0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3055 -0.1763 -0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1409 1.5790 0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 1.2410 0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7913 -1.2253 1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3894 -1.7209 0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -0.4217 -1.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -1.7595 -1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 1.2024 -0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6402 0.2729 -1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3873 -0.0912 1.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3313 -1.1984 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6776 0.6927 1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5177 1.8630 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2889 1.3594 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7169 1.6761 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0985 -0.1397 -2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7934 -1.1531 -1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1981 0.2509 -0.6623 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 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 20 50 1 0 M END