HMDB0289583 RDKit 3D PC(P-18:0/18:1(12Z)-2OH(9,10)) 141140 0 0 0 0 0 0 0 0999 V2000 -7.2862 6.1287 3.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9846 4.8796 2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4781 4.7410 2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9739 4.6158 4.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4564 4.4645 4.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7771 5.6104 3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 5.4997 2.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7289 4.2284 1.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 3.8411 1.8081 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1803 2.6317 1.1417 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3969 3.7569 3.1423 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2973 4.9463 3.8072 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0056 2.5327 3.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 2.3618 5.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0672 2.2632 5.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 1.0686 4.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0969 -0.2005 5.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6355 -1.4356 4.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5854 -1.6197 2.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4415 -0.8398 2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3861 -0.1502 2.5226 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2682 -0.8103 0.7053 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0993 -0.0799 -0.1267 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4919 0.8932 -1.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7683 1.9134 -0.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1356 2.9619 -1.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 2.9644 -2.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0872 4.1674 -2.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3002 4.0130 -3.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2754 3.4651 -2.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6735 3.4324 -2.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6459 2.8810 -1.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3363 1.4547 -1.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4382 0.5733 -2.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1444 -0.8854 -2.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3445 -1.5972 -3.8777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 -3.0645 -3.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7066 -3.4663 -3.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6453 -2.9071 -4.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9351 -3.4004 -5.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0053 -2.8939 -6.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4274 -3.2011 -6.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1768 -2.6700 -5.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9669 -1.0671 -0.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1707 -1.9244 -1.6457 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1707 -3.0080 -2.4603 P 0 0 0 0 0 5 0 0 0 0 0 0 5.0018 -2.8450 -3.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7945 -2.6492 -2.0556 O 0 0 0 0 0 1 0 0 0 0 0 0 4.8834 -4.5900 -1.9391 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5534 -4.6870 -1.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3289 -6.1000 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0071 -6.3289 -0.5133 N 0 0 0 0 0 4 0 0 0 0 0 0 1.8620 -7.6729 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9658 -6.0550 -1.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7969 -5.4147 0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3438 5.7956 4.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4708 6.8734 3.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2682 6.5692 3.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3831 4.9590 1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3777 3.9635 3.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1834 3.9060 2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0316 5.6786 2.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 3.7324 4.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2755 5.5106 4.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2185 3.4798 3.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1637 4.4713 5.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9548 6.6029 4.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 6.3887 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3849 3.3932 2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9704 4.4334 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2357 4.5908 1.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7029 2.2410 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5018 3.6207 2.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0568 4.8846 4.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1043 2.3925 3.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 1.6522 3.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 3.2187 5.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0655 1.4851 5.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3991 2.2183 6.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5155 3.1535 4.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5021 1.2854 3.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7397 1.1285 4.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -0.2215 4.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2193 -0.3112 6.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 -1.4737 4.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2516 -2.3584 4.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4993 -1.5095 2.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 -2.7115 2.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8354 0.4592 0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9006 0.4000 -1.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3299 1.3986 -1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 3.8529 -0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9303 2.0724 -2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6778 4.6372 -3.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0655 4.9610 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3607 3.3924 -4.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6949 5.0144 -3.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2926 4.2150 -1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 2.4749 -2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6809 2.9215 -3.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9873 4.4926 -3.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6895 2.9875 -2.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5392 3.4833 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1090 1.0570 -0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3263 1.3312 -1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4103 0.6471 -3.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6784 0.9488 -3.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1108 -0.9413 -2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8115 -1.2629 -1.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7762 -1.0970 -4.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4314 -1.4573 -4.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7744 -3.5816 -3.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 -3.5041 -4.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6582 -4.5856 -3.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4441 -3.2759 -2.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -3.4092 -4.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 -1.8189 -4.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9722 -3.0539 -6.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9265 -4.5266 -5.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1092 -1.7663 -6.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4276 -3.2389 -7.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6048 -4.3184 -6.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9207 -2.7656 -7.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 -2.2676 -5.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4621 -3.4529 -4.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7145 -1.8386 -5.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6901 -0.4919 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 -1.5978 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9238 -4.4222 -2.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3627 -3.9646 -0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4805 -6.7964 -1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0438 -6.3903 -0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4428 -7.7004 0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8027 -7.8452 0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2281 -8.4488 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6846 -4.9990 -1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -6.3816 -2.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0776 -6.6750 -1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6059 -4.3792 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7357 -5.4149 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9262 -5.7660 1.2272 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 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 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 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 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 6 10 72 1 0 11 73 1 6 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 1 24 90 1 0 24 91 1 0 26 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 53133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 55141 1 0 M CHG 2 48 -1 52 1 M END