HMDB0051934 RDKit 3D TG(24:1(15Z)/15:0/18:2(9Z,12Z)) 176175 0 0 0 0 0 0 0 0999 V2000 6.4830 2.7125 5.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8456 1.3997 5.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9137 0.3430 6.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4017 -1.0027 5.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9559 -1.2109 5.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5182 -0.5105 4.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5443 0.3644 4.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7812 0.7068 5.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 2.1433 5.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7913 2.8928 5.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5736 2.4487 5.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 3.1972 4.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 3.3823 3.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1742 4.1175 3.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2477 4.4367 1.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5194 5.1748 1.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7095 5.7379 0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6874 4.8602 -1.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5828 3.6218 -1.0021 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7812 5.4214 -2.2924 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 5.1265 -3.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 4.4824 -4.2753 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5714 2.9667 -4.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 2.4460 -4.4644 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1204 1.1217 -4.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2443 0.3185 -4.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4124 0.5794 -4.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3935 0.5651 -3.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6866 1.9306 -3.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 2.0728 -1.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7464 1.8044 -0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0776 0.4888 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3389 0.3425 0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6896 -1.0120 0.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7706 -1.1588 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 -2.4229 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 -2.5972 0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8619 -1.4282 0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9355 -1.5093 1.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 -2.6147 1.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0455 -3.5945 2.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3431 -3.7295 3.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5662 -5.0458 3.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5172 -6.2182 3.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8203 -7.5512 3.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -8.7013 3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5818 -8.7271 2.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5199 -9.9282 2.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7739 -11.2281 2.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9054 4.4847 -5.7105 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 5.0258 -6.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1016 5.4864 -6.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1588 5.0355 -8.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4873 3.8011 -8.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 3.7906 -8.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5774 2.5159 -8.9916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0483 2.3901 -8.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6915 2.4701 -7.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2596 1.4407 -6.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1147 1.7194 -5.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8158 0.7800 -4.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 0.9089 -3.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 2.3074 -3.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 2.6898 -2.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7683 1.7732 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6602 2.1717 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5633 2.6038 5.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2568 3.4689 4.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9541 2.9979 6.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8057 1.7097 4.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4364 1.1673 4.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4692 0.6908 7.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0075 0.2343 6.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 -1.4420 4.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7360 -1.6823 6.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4246 -1.0397 6.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8846 -2.3393 5.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0598 -0.7370 3.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2659 0.8624 3.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0618 0.1766 6.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6966 0.4296 5.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 2.6506 5.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9393 3.9767 6.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0433 2.7043 6.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7606 1.3484 5.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 4.2460 5.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 2.8124 5.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 2.4510 2.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9277 4.0345 3.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0768 3.5335 3.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1275 5.0999 3.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2232 3.4409 1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 5.0273 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5227 6.0485 2.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3883 4.5361 1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7285 6.2426 0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0189 6.6130 -0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7529 4.5509 -3.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9892 6.1239 -4.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3096 4.9429 -4.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2454 2.6328 -4.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3013 2.7230 -3.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3823 -0.4514 -5.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9038 1.2022 -5.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2148 -0.2432 -3.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 0.2458 -4.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7588 2.5507 -3.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2279 2.5097 -4.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8461 3.1471 -1.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3951 1.4154 -1.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0321 2.6422 -0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4936 1.8529 0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7142 -0.3475 -0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2198 0.5335 -1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 1.0797 0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 0.5848 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1445 -1.1872 1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4989 -1.7849 0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4131 -1.1462 -1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0968 -0.2910 -0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7212 -3.2633 -0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4293 -2.4042 -1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5168 -3.5509 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6187 -2.6449 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3417 -1.2774 -0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -0.5048 0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 -1.3496 2.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5502 -0.5658 1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4584 -2.6261 0.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7798 -4.4131 2.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6663 -2.9479 3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1346 -3.8220 4.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9994 -5.1262 4.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8425 -5.1227 2.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2553 -6.1591 4.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0617 -6.2146 2.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0783 -7.6948 2.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -7.6876 4.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5422 -8.5709 4.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -9.6743 3.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9187 -8.7728 1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2147 -7.8128 2.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1216 -9.9558 1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2072 -9.8307 3.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9462 -11.6831 3.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6802 -11.0783 2.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1158 -11.9618 1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2089 5.9755 -8.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 4.9351 -8.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2653 3.7954 -9.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0524 2.9045 -8.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4389 4.6215 -9.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2859 3.9978 -7.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 2.4033 -10.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 1.6296 -8.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2985 1.3641 -9.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5501 3.1062 -9.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4069 3.4684 -7.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8150 2.4543 -7.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2111 1.6637 -6.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3347 0.4035 -6.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9384 2.7574 -5.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1707 1.5715 -5.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 0.9793 -3.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0169 -0.2846 -4.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 0.2037 -2.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6867 0.6162 -4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0228 2.3634 -2.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1771 3.0480 -4.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0447 2.6329 -2.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7987 3.7545 -1.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7197 1.8923 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9407 0.7096 -1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0045 3.2213 0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0734 2.1449 1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4986 1.4602 0.2802 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 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 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 2 0 25 27 1 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 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 22 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 3 73 1 0 4 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 12 87 1 0 13 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 21 98 1 0 21 99 1 0 22100 1 6 23101 1 0 23102 1 0 27103 1 0 27104 1 0 28105 1 0 28106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 37123 1 0 37124 1 0 38125 1 0 38126 1 0 39127 1 0 39128 1 0 40129 1 0 41130 1 0 42131 1 0 42132 1 0 43133 1 0 43134 1 0 44135 1 0 44136 1 0 45137 1 0 45138 1 0 46139 1 0 46140 1 0 47141 1 0 47142 1 0 48143 1 0 48144 1 0 49145 1 0 49146 1 0 49147 1 0 53148 1 0 53149 1 0 54150 1 0 54151 1 0 55152 1 0 55153 1 0 56154 1 0 56155 1 0 57156 1 0 57157 1 0 58158 1 0 58159 1 0 59160 1 0 59161 1 0 60162 1 0 60163 1 0 61164 1 0 61165 1 0 62166 1 0 62167 1 0 63168 1 0 63169 1 0 64170 1 0 64171 1 0 65172 1 0 65173 1 0 66174 1 0 66175 1 0 66176 1 0 M END