HMDB0011697 RDKit 3D SM(d18:1/24:0) 151150 0 0 0 0 0 0 0 0999 V2000 3.7332 -1.1708 0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8203 -1.3648 -0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0135 -0.4763 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5532 0.9608 -0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6841 1.9238 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7624 1.8109 -0.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3055 2.1173 -2.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7830 3.5327 -2.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 3.7341 -3.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8713 5.1110 -4.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6345 5.4928 -3.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3177 6.9119 -3.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0908 7.4507 -3.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8085 6.8483 -3.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5774 5.8952 -4.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1819 5.4505 -4.4988 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2056 5.9977 -5.7531 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 4.0079 -4.5231 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6454 3.8723 -4.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 4.4498 -3.4258 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8632 4.3235 -3.4545 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.4646 5.3846 -4.3495 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4703 4.5572 -1.8766 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.3537 2.7775 -3.9522 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7249 2.6124 -3.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 1.1979 -4.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4785 0.9113 -4.2001 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.2616 2.0563 -4.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8670 0.5681 -2.8512 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7423 -0.1784 -5.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3027 3.3574 -3.2608 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2391 1.9554 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1427 1.2304 -4.0321 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6154 1.3602 -1.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 0.0243 -1.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -1.0941 -2.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 -2.3324 -1.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9047 -2.1649 -1.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6592 -3.3353 -1.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4842 -4.6387 -2.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3678 -5.6597 -1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9489 -5.7849 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5747 -6.3392 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 -6.3359 1.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7488 -4.9061 1.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1371 -4.8038 3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0831 -5.3435 4.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4978 -5.2513 5.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1206 -3.8511 6.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -2.8192 6.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2566 -2.7809 7.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0226 -2.6505 8.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3308 -3.6093 9.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8705 -4.9843 9.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2577 -4.9587 10.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 -6.3998 10.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9885 -2.0032 0.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1634 -0.2351 0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1576 -1.2795 1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3767 -1.1717 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1247 -2.4479 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 -0.7145 1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 -0.6385 -0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7402 1.1115 0.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1188 1.1048 -1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 2.9514 0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1594 1.6438 1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6124 2.4630 -0.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1609 0.7707 -0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 1.4152 -2.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2074 2.0546 -2.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5557 4.2692 -2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9219 3.6312 -1.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6523 2.9480 -4.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 3.6100 -4.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6281 5.8902 -3.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5841 5.2245 -5.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8165 4.7974 -3.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9960 5.5034 -2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 6.9976 -4.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1666 7.5899 -3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 7.3055 -1.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0668 8.5694 -3.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9266 7.2882 -2.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3578 5.4506 -4.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4748 5.9316 -3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5272 6.9274 -5.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2048 3.4069 -5.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9466 4.5259 -5.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9436 2.8529 -4.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9761 2.7270 -2.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2524 3.3703 -4.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4736 0.5289 -3.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7497 1.0511 -5.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2916 2.8625 -3.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2842 1.7614 -4.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7393 2.4895 -5.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9576 0.4160 -2.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3371 -0.3474 -2.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6292 1.4399 -2.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8118 -0.4768 -5.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3979 0.1564 -6.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0882 -1.0498 -4.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6255 3.9465 -2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3211 2.0215 -0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7427 1.2772 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1289 0.2092 -1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2358 -0.2219 -0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4077 -1.2920 -2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0263 -0.9699 -3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1123 -3.2075 -2.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0837 -2.5673 -0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1973 -1.2954 -1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2594 -1.9266 -2.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4604 -3.3822 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7496 -3.0603 -1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 -4.9984 -2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9508 -4.5347 -3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2285 -6.6104 -1.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4011 -5.3104 -1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1044 -4.9038 0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6442 -6.6194 0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 -5.7504 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5995 -7.4084 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -6.8480 1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6983 -6.8413 2.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7575 -4.3879 2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1233 -4.4058 1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 -3.6863 3.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8692 -5.2727 3.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3009 -6.4088 4.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 -4.7912 4.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3974 -5.8987 5.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 -5.6591 6.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6335 -3.5275 5.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 -3.8995 7.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5557 -2.6463 5.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5696 -1.8265 6.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0615 -3.5580 6.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8387 -1.8420 6.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4682 -1.6504 8.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0087 -2.3816 9.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3052 -3.1915 10.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2395 -3.6691 9.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2135 -5.4913 10.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 -5.6355 8.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9888 -4.4392 9.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1649 -4.4956 11.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8891 -7.1310 10.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5168 -6.6389 9.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9834 -6.6206 11.4325 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 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 18 31 1 0 31 32 1 0 32 33 2 0 32 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 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 15 85 1 0 16 86 1 1 17 87 1 0 18 88 1 6 19 89 1 0 19 90 1 0 25 91 1 0 25 92 1 0 26 93 1 0 26 94 1 0 28 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 30103 1 0 31104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 56151 1 0 M CHG 2 23 -1 27 1 M END