HMDB0002823 RDKit 3D Docosatrienoic acid 62 61 0 0 0 0 0 0 0 0999 V2000 9.6316 -1.0408 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2111 -1.6194 0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5639 -1.4435 -0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4725 -0.7601 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7185 -0.0584 0.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 1.3687 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5717 2.0016 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 1.3708 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 1.5082 -1.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 2.1697 -1.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7728 2.8168 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 2.1721 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 0.7000 0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9838 0.2033 0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -1.2494 0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -1.8875 0.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2838 -1.9705 -0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8988 -0.7821 -0.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5899 0.1401 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6954 -0.5194 0.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8112 -1.0671 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5197 -0.0366 -0.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1955 1.1676 -0.7053 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5522 -0.3560 -1.7118 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2148 -1.4471 1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5230 0.0510 1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1701 -1.3062 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6448 -1.3725 1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4064 -2.7470 1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9947 -1.8988 -1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0102 -0.6468 -1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 -0.5833 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2494 -0.1574 1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6619 1.9153 0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5441 3.0732 -0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2249 0.3031 0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6579 1.8322 1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0835 1.0305 -2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9958 2.2613 -2.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2367 2.9911 0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5215 3.8766 -0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2416 2.6569 0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0554 2.2729 -1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0213 0.4602 1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0278 0.1852 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4737 0.4379 -0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4567 0.7372 1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4082 -1.7961 -0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3953 -1.3966 1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0636 -2.9417 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8199 -1.4129 1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8145 -2.5736 -1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0798 -2.7094 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2588 -0.2102 -1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7416 -1.1519 -1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 0.5016 0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9462 1.0113 -0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3546 -1.3030 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1513 0.2708 1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5518 -1.5109 0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4522 -1.8382 -0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8556 0.3071 -2.4106 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 1 0 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 19 57 1 0 20 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 24 62 1 0 M END