HMDB0262663 RDKit 3D PA(10:0/20:4(5E,8Z,12Z,14Z)-OH(11R)) 100 99 0 0 0 0 0 0 0 0999 V2000 -10.8837 2.6795 -2.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4234 3.5032 -1.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1238 2.7504 -0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3846 1.6679 0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1417 1.9507 1.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9777 2.4506 0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8434 1.7736 0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6958 0.4913 1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5152 -0.1400 0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3874 0.4759 0.2538 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5619 0.5581 -1.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1202 -0.3267 0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8884 -0.2586 2.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8785 -1.3256 2.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0878 -2.7106 2.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8659 -3.5129 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1311 -4.1541 1.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9424 -4.9134 2.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2806 -4.3702 1.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5287 -2.9084 1.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7857 -2.4625 1.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8905 -2.6949 1.8044 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7618 -1.8226 0.0385 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0295 -1.4417 -0.5502 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1437 0.0344 -0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2978 0.4874 -1.2123 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6691 0.5065 -2.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8074 0.0530 -3.3569 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9473 0.9863 -3.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9105 1.4652 -2.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 0.4075 -1.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2278 0.9825 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4705 1.4656 -0.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5814 1.9796 0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4978 3.1449 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5748 3.1368 2.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7256 4.4969 3.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1873 -2.2476 -1.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -3.6308 -1.4144 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2883 -4.5966 -2.7641 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1547 -5.7979 -2.4106 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 -5.1950 -3.2991 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 -3.7431 -4.0313 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5360 3.4273 -3.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0128 2.0633 -2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6531 2.0292 -2.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7676 4.2719 -0.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2862 4.1047 -1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5271 3.5178 0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0488 2.2893 -0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1374 1.1626 1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2416 0.8517 -0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9710 1.1156 1.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4531 2.7936 1.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9641 3.4319 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9777 2.2041 -0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5051 -0.0185 1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4403 -1.1047 1.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2370 1.4848 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0084 1.3346 -1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2844 0.2476 0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1304 -1.3124 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7134 0.7196 2.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6923 -1.1458 3.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8985 -3.1429 3.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2952 -2.8801 1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6007 -3.5456 3.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 -4.1186 0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -5.9865 2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8085 -4.7761 3.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2587 -4.5161 0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1972 -4.9386 2.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7387 -2.7934 3.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3209 -2.2860 1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8601 -1.7725 0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2227 0.4254 -1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0639 0.4012 0.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4687 0.2748 -3.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7336 1.8876 -3.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5166 2.3615 -1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8218 1.7750 -2.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4228 -0.0907 -0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8157 -0.3972 -1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5843 1.7258 0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3546 0.1482 0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2197 2.2163 -1.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8895 0.6048 -1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4364 2.1691 -0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0729 1.1344 0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4260 4.1270 0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5395 3.2636 1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5361 2.9201 2.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9324 2.4065 3.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7947 4.7501 2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1960 5.2302 2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2766 4.4278 3.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4454 -2.1266 -2.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2072 -2.1906 -2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9152 -5.9486 -3.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8914 -3.4019 -3.7838 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 24 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 40 43 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 9 58 1 0 10 59 1 1 11 60 1 0 12 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 24 75 1 1 25 76 1 0 25 77 1 0 29 78 1 0 29 79 1 0 30 80 1 0 30 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 42 99 1 0 43100 1 0 M END