HMDB0285743 RDKit 3D PC(18:1(12Z)-2OH(9,10)/14:1(9Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -9.0387 -6.6767 3.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2258 -6.0897 4.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4651 -6.0406 3.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4284 -5.2255 1.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4582 -5.7123 1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4140 -5.0838 0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1241 -3.6968 0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2080 -2.7038 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2903 -3.0116 -1.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8400 -3.0484 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1931 -1.8048 -0.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4073 -0.6027 -1.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6667 0.5817 -0.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2164 0.3479 -0.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7825 -0.6512 -1.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 1.2148 -0.4097 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8819 0.9471 -0.5851 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0755 0.8235 0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2376 0.5391 0.2597 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3343 0.3822 1.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2142 0.4956 2.2958 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 0.0774 0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0559 1.3690 -0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3342 1.2944 -1.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 0.2333 -2.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3104 0.1189 -3.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5805 -0.1709 -2.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6804 -0.2984 -3.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0594 -0.5091 -2.7511 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6204 0.4815 -1.9571 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3672 -1.8640 -2.1451 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7152 -2.8462 -2.8102 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2513 -1.9160 -0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5490 -3.2454 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5422 -3.4944 0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5029 -2.5034 1.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5870 -2.3204 2.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3860 -1.8947 3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7820 -0.5839 3.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5776 -0.3875 4.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2521 2.1308 -1.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3829 3.2986 -0.5584 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6686 4.6121 -1.3140 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8414 4.5754 -1.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 4.4509 -2.9954 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.2005 6.1018 -0.8169 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 6.1202 -0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5986 7.5969 0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8187 8.3419 -0.9192 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.6198 7.5834 -1.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5607 8.7064 -1.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 9.5532 -0.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3338 -5.8608 3.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3322 -7.3008 2.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4798 -7.2881 4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9795 -5.0389 4.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4299 -6.6906 4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7333 -7.1141 2.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3370 -5.7041 3.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4894 -5.2789 1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3601 -4.1435 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5994 -6.7423 0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7555 -5.5630 -0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0182 -3.7016 1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6261 -3.3572 1.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0702 -1.7035 0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2580 -2.8039 -0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5662 -4.0718 -1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5516 -2.4278 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3341 -3.4290 -1.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6491 -3.8419 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1170 -2.0282 -0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5245 -1.6234 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9895 -0.7487 -2.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4732 -0.3573 -1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9489 1.5375 -1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8688 0.7246 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6494 0.0317 -1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0745 1.8018 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4108 0.0023 1.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3782 -0.2254 1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 -0.7474 -0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 2.0916 0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2261 1.8296 -0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5225 2.2669 -1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1434 1.0088 -0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0765 -0.7339 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1997 0.4147 -2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4697 1.0914 -3.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1534 -0.6685 -3.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3267 -1.1171 -1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7420 0.6848 -1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3698 -1.1399 -3.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6051 0.6303 -3.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6962 -0.4149 -3.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9643 1.0145 -1.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5093 -1.9637 -2.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5970 -3.6367 -2.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1815 -1.6782 -0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8218 -1.0791 -0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9058 -4.1005 -0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6322 -4.5396 1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4766 -1.5523 0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5271 -2.9373 0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9397 -3.2920 3.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4691 -1.6338 2.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5744 -2.6827 3.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6713 -1.8547 4.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2816 -0.6903 2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4768 0.2577 3.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9062 0.1924 4.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2162 -1.3747 4.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7277 0.0911 3.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 2.3453 -2.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1946 1.9792 -1.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 5.6651 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2114 5.6177 0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4744 7.6751 0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7225 7.9511 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5277 7.2636 -1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9438 8.2781 -2.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0588 6.7496 -2.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 9.6461 -2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 7.9403 -2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8028 8.8776 -0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8357 10.2303 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4247 9.3113 0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8118 10.0832 -1.5115 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 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 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 17 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 49 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 17 78 1 6 18 79 1 0 18 80 1 0 22 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 6 30 96 1 0 31 97 1 1 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 50120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M CHG 2 45 -1 49 1 M END