HMDB0294919 RDKit 3D DG(13:0/0:0/20:4(5Z,8Z,11Z,13E)+=O(15)) 102101 0 0 0 0 0 0 0 0999 V2000 -12.6878 -0.6066 -0.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2371 -0.4589 -0.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0800 -0.1746 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5768 -0.0507 1.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3608 0.2261 2.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9211 0.3548 3.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3001 1.5047 2.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8321 1.6508 2.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0619 0.3914 2.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2093 0.0653 0.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6912 1.1961 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9233 0.7832 -1.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2032 -0.4435 -1.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5692 -1.0335 -2.7548 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1824 -1.0354 -0.9924 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -2.2483 -1.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4487 -2.6466 -0.4805 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9128 -3.8279 -0.9795 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4209 -1.5188 -0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 -1.3703 -1.9371 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8414 -0.4099 -2.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3484 0.2576 -1.4608 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -0.2733 -3.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3172 -1.0575 -4.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6645 -0.7048 -3.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1646 0.6107 -4.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5248 1.5284 -3.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5001 1.4273 -1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6626 2.5222 -1.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0343 3.4651 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4103 3.5545 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3811 3.4396 1.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0095 2.5207 2.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8117 1.5088 1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4434 0.5847 2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2416 -0.4157 1.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2962 -0.3610 0.3786 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9306 -1.4203 2.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1052 -2.1366 1.8777 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3335 -1.3691 1.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3583 -0.3012 0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0970 -0.8012 -0.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9627 -1.6873 -0.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3669 -0.0148 -0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8595 -0.2723 -1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6640 -1.3806 -0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8112 0.3518 -1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4805 -0.9635 1.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6018 0.7687 1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1738 0.7810 0.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0525 -0.9605 0.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8056 -0.5628 3.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9455 1.1555 3.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3886 -0.6026 2.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7846 0.4864 4.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7710 2.4769 2.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4434 1.3453 1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3511 2.5083 2.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7957 1.7819 3.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9927 0.6282 2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3176 -0.4581 3.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6613 -0.8806 0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2592 -0.1531 0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1921 2.1521 0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 1.3109 0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7317 1.6180 -2.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0314 0.5657 -1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 -2.2022 -2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3597 -3.0311 -1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -2.6958 0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7175 -4.4708 -0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -1.8212 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8825 -0.5766 -0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1789 0.7998 -4.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2546 -0.6787 -4.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -1.1964 -5.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1276 -2.1260 -3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3725 -1.4600 -4.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7566 -0.9066 -2.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2638 0.8961 -5.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8934 2.4979 -3.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 0.4791 -1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5404 1.4026 -1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6189 2.5390 -1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3394 4.2468 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8173 4.6069 -0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0803 2.8810 -0.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8005 4.1602 2.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9521 2.4804 3.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9231 1.4742 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3715 0.5686 3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1235 -2.1693 2.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2525 -0.9504 3.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3438 -2.9670 2.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7800 -2.6894 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1636 -2.1201 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6494 -0.8972 2.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4314 0.0972 0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6983 0.5524 0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6492 0.0343 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4127 -1.6899 -0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0492 -1.1015 -1.2355 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 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 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 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 9 61 1 0 10 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 16 68 1 0 16 69 1 0 17 70 1 1 18 71 1 0 19 72 1 0 19 73 1 0 23 74 1 0 23 75 1 0 24 76 1 0 24 77 1 0 25 78 1 0 25 79 1 0 26 80 1 0 27 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 33 89 1 0 34 90 1 0 35 91 1 0 38 92 1 0 38 93 1 0 39 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 42102 1 0 M END