HMDB0007607 RDKit 3D DG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 128127 0 0 0 0 0 0 0 0999 V2000 -11.6607 4.3629 1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6163 3.4587 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8198 3.0972 1.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1350 1.8831 0.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3793 0.6741 1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0584 -0.0732 -0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9197 -0.4079 -0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5821 -0.1902 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2683 0.5743 1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6859 0.1110 2.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2235 -1.2835 2.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7772 -1.3324 2.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9334 -2.0250 1.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3837 -2.8767 0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0121 -4.2847 0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2853 -4.9576 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7028 -4.5066 -1.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2113 -4.6369 -1.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 -3.8881 -0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5447 -2.4160 -0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4124 -1.8936 -1.0876 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6925 -1.6248 0.4074 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7553 -0.2344 0.3858 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0997 0.4445 1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0619 1.8332 1.4039 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6199 0.3916 -0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3529 0.0957 -0.0962 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 0.2451 0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0436 0.8199 1.9747 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -0.2655 0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2969 -0.5236 -0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 0.7456 -1.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6164 0.4284 -2.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6956 1.6747 -3.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7769 2.6358 -3.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1648 2.3089 -3.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8566 1.1323 -3.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0527 1.0427 -1.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 2.1789 -1.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0296 1.8955 0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8849 2.9492 1.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2610 3.0097 0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9806 1.6896 0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3324 1.9063 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1445 0.6537 -0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4606 0.0425 1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2808 -1.2106 0.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5602 -2.2200 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2663 -2.6884 0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4622 -3.3314 1.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0313 4.9563 1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0884 3.8126 0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2493 5.1350 0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1441 2.6535 2.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0199 4.1538 2.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4623 3.9583 0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0578 1.6896 0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5163 0.8009 1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1512 0.0497 1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9763 -0.3969 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9585 -0.9928 -1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9637 0.2525 -1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0162 -1.1850 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5050 1.6530 1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5051 0.8103 2.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7062 -1.5304 3.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6301 -2.0370 1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3617 -0.7324 3.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8711 -1.9815 2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4583 -2.8184 0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8805 -2.4837 -0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4010 -4.7366 1.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0731 -6.0182 0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0817 -5.2361 -1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0203 -3.5014 -1.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9087 -4.3075 -2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9464 -5.7432 -1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -4.1547 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5991 -4.1394 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6956 -0.0206 -0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1713 0.1606 1.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4704 0.2497 2.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9312 2.2606 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8001 0.1026 -1.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 1.4940 -0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9442 -1.2154 1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5423 0.5103 1.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -1.1704 -0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2804 -0.9985 -0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9371 1.5374 -0.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2456 1.1552 -1.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 -0.0865 -3.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -0.3198 -2.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7198 2.2297 -3.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6282 1.4368 -4.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4813 3.6014 -3.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7166 2.9592 -2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7956 3.2120 -3.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3585 2.3676 -4.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9153 1.1701 -3.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5046 0.1391 -3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7021 0.1221 -1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1705 0.8593 -1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3791 3.1545 -1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8828 2.1482 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0384 1.9392 0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4491 0.8907 0.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3993 3.9234 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9287 2.7547 2.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8464 3.7647 0.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1506 3.4085 -0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3708 0.9554 -0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0810 1.3013 1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1046 2.2132 -1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8661 2.7643 0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0540 0.8779 -0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5480 -0.0569 -0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1502 0.7527 1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6062 -0.1250 1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5811 -1.6883 1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2277 -0.9567 0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4229 -1.8824 -1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2296 -3.1355 -0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4806 -1.8968 0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8632 -3.4664 -0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4947 -3.7635 1.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3838 -2.6219 2.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6840 -4.1206 1.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 13 14 1 0 14 15 1 0 15 16 2 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 23 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 23 80 1 6 24 81 1 0 24 82 1 0 25 83 1 0 26 84 1 0 26 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 M END