HMDB0060039 RDKit 3D Dihomo-alpha-linolenic acid 56 55 0 0 0 0 0 0 0 0999 V2000 4.1529 2.4929 -2.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6854 1.3269 -1.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2925 0.0562 -1.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0597 -0.7337 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4097 -0.3950 0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 -1.4219 1.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1022 -1.2394 2.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4953 0.0277 2.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 0.2773 2.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1003 -0.4655 2.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2099 -1.8399 1.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6697 -1.9021 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 -1.4842 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4002 -1.5399 -1.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8481 -1.1266 -0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0626 0.2610 -0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5324 0.6559 -0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1965 0.6161 -1.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6406 1.0117 -1.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8273 2.3879 -1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8802 3.1715 -0.9962 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1114 2.8967 -0.9724 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8326 3.1646 -1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2846 3.1122 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7328 2.0985 -2.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7177 1.5410 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5732 1.2270 -1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0654 -0.2470 -2.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4560 -1.6484 -1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5573 -0.4713 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1923 0.6033 0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3310 -2.4691 1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -2.1227 3.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1046 0.8766 2.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7474 0.1825 3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7268 1.3192 2.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0449 -0.0207 2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3826 -2.4100 2.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 -2.3588 1.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7633 -2.9105 -0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2545 -1.1490 -0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3622 -2.1260 1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8774 -0.4150 0.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2759 -2.5473 -1.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8479 -0.8397 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3596 -1.3252 -1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3705 -1.8116 -0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5071 0.9995 -1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7153 0.3811 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5666 1.6691 -0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0855 0.0128 0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1009 -0.3729 -2.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7145 1.3354 -2.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1111 0.8478 -2.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1620 0.3245 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6749 2.5166 -0.2227 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 18 53 1 0 19 54 1 0 19 55 1 0 22 56 1 0 M END