HMDB0294522 RDKit 3D DG(18:1(9Z)-O(12,13)/10:0/0:0) 93 93 0 0 0 0 0 0 0 0999 V2000 -10.4458 1.8448 3.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2882 2.2315 2.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6968 1.0200 1.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5197 1.3432 0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9452 0.2091 -0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5900 -0.1471 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9481 -1.2806 -0.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7505 -0.9043 -2.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8734 0.2934 -2.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5153 0.1125 -1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1389 -1.0136 -1.5049 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5562 1.1001 -1.8784 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2619 0.9043 -1.3857 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2885 1.1684 -2.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4132 2.4926 -2.9775 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8969 1.7464 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6455 1.6280 0.3272 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0826 0.4702 0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8268 -0.5393 0.7795 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2569 0.4053 1.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6461 -1.0248 1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7335 -1.8146 0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7763 -1.2276 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8493 -2.0318 -1.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8525 -1.5620 -2.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2952 -1.6121 -2.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6017 -3.0288 -2.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0216 -3.4335 -0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2824 -2.6333 0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7190 -2.8264 0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5787 -2.3623 -0.4446 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7467 -1.8900 0.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7394 -0.4213 1.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2143 0.4182 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3004 1.9090 0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5234 2.2928 1.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6596 3.7823 1.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8823 2.6730 4.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1085 0.9482 3.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4799 1.5492 4.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6089 3.0930 2.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2910 2.4708 1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3320 0.1357 1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7157 0.7980 2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5155 1.6622 -0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8546 2.2310 0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5971 -0.6982 -0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9343 0.3980 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9271 0.7350 0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7464 -0.5422 0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0426 -1.5797 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6881 -2.1247 -0.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2403 -1.7816 -2.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7087 -0.7894 -2.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7837 0.4612 -3.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3316 1.2144 -2.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1264 -0.1799 -1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4454 0.4730 -3.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2273 1.0524 -2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3501 2.7857 -2.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9979 2.8230 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 1.6714 0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2914 0.9330 2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 0.9278 0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5857 -1.1213 2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 -1.4767 2.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0448 -2.8563 0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7606 -1.8913 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3789 -0.1872 -0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7107 -1.0602 -0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9722 -3.1144 -1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 -1.9633 -2.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -2.2726 -3.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5732 -0.5418 -3.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9045 -1.2211 -3.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3584 -0.9762 -1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 -3.7724 -2.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2175 -4.5313 -0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9086 -1.6301 0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6997 -3.1787 1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9476 -3.9131 0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7360 -2.3443 1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7840 -0.0294 1.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2145 -0.2031 2.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8173 0.2931 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1418 0.2229 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9443 2.5146 -0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3789 2.1232 0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8953 1.7380 2.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4543 1.9961 1.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9213 4.3620 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3353 3.9435 2.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6492 4.1323 2.1235 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 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 32 30 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 3 44 1 0 4 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 6 50 1 0 7 51 1 0 7 52 1 0 8 53 1 0 8 54 1 0 9 55 1 0 9 56 1 0 13 57 1 1 14 58 1 0 14 59 1 0 15 60 1 0 16 61 1 0 16 62 1 0 20 63 1 0 20 64 1 0 21 65 1 0 21 66 1 0 22 67 1 0 22 68 1 0 23 69 1 0 23 70 1 0 24 71 1 0 24 72 1 0 25 73 1 0 25 74 1 0 26 75 1 0 26 76 1 0 27 77 1 0 28 78 1 0 29 79 1 0 29 80 1 0 30 81 1 0 32 82 1 0 33 83 1 0 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 37 93 1 0 M END