HMDB0093704 RDKit 3D DG(16:0/a-25:0/0:0) 135134 0 0 0 0 0 0 0 0999 V2000 18.2529 -2.3708 0.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0804 -1.4747 1.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7809 -0.5524 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6151 0.3232 0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2453 1.2794 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8537 0.6743 -2.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6591 -0.2355 -2.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4134 0.4505 -1.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2323 -0.4580 -1.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8645 -1.0092 -2.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5211 0.0049 -3.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4024 0.9082 -3.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0202 0.4604 -3.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6126 -0.5367 -2.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0776 -0.7122 -2.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4685 0.5835 -2.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1319 1.5356 -1.6264 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1224 0.7739 -2.2508 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2804 1.8108 -1.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9304 2.1296 -0.5563 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1006 2.4972 0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6284 2.9439 1.5547 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2598 1.0385 0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9493 1.1631 0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 2.2809 0.4262 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3045 -0.0069 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -0.3174 0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9852 0.7949 0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3357 0.4418 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9863 -0.7457 0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 -0.6216 2.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2482 0.5431 2.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6611 0.7744 3.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3368 -0.2414 4.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6873 -0.7647 4.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8355 -1.4308 2.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1076 -2.1208 2.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4406 -1.5053 2.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9369 -1.0285 3.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3136 -0.4789 4.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6915 0.7364 3.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6954 0.8488 1.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5686 -0.2068 1.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6460 -0.1538 -0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3295 -0.3125 -0.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4884 -0.2661 -2.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4129 -1.4101 -2.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0958 1.0176 -2.9423 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2034 0.9529 -4.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0651 -3.4389 1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1584 -2.1079 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5496 -2.2811 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3371 -0.9058 2.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2230 -2.1438 1.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7076 0.0199 -0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5020 -1.2097 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9553 0.9414 1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7991 -0.2971 0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5310 2.0459 -0.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1811 1.8828 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7357 1.4757 -2.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7077 0.0433 -2.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8838 -1.1603 -1.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5040 -0.5524 -3.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2298 1.4118 -2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6053 0.7365 -0.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5060 -1.3409 -0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3538 0.0068 -1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1295 -1.7950 -2.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7910 -1.5854 -3.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1877 -0.5794 -4.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4172 0.5506 -4.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6491 1.4558 -2.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3814 1.8042 -4.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3675 1.3776 -3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7449 -0.0294 -4.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0163 -1.5582 -2.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8459 -0.3074 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8362 -1.4946 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7681 -1.0341 -3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 1.6151 -2.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6436 2.7710 -2.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 2.9854 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6867 1.5490 0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 3.2536 -0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1377 2.1878 1.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1055 0.2379 2.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0183 -0.8660 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7878 -0.5360 -0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 -1.2951 0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 1.1929 1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 1.6532 0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1838 0.2273 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9729 1.3251 0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4716 -1.7045 0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9896 -0.8485 0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7323 -1.5915 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3928 -0.3568 2.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5639 1.4484 2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9736 0.5764 1.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3085 1.7098 3.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7491 1.1397 4.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6507 -1.1134 4.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5148 0.2155 5.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1514 -1.3250 4.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3120 0.2159 4.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7662 -0.6413 2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0225 -2.1963 2.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0063 -2.7410 1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1323 -2.9948 3.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1679 -2.3418 2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5622 -0.7661 1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8265 -1.8895 4.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2294 -0.2741 4.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6120 -0.4535 5.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9922 -1.3313 3.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9692 1.5607 3.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6815 1.1390 3.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1933 1.8799 1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7175 0.9253 1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6245 -0.0217 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3287 -1.2177 1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1435 0.7836 -0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3593 -0.9686 -0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8949 -1.3045 -0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6165 0.4491 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5129 -0.4178 -2.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0236 -2.3228 -2.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4411 -1.1477 -2.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3694 -1.5427 -3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4473 1.8538 -2.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1589 1.1268 -2.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5347 1.9270 -4.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9714 0.2177 -4.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2548 0.6859 -4.9453 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 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 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 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 46 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 19 81 1 0 19 82 1 0 20 83 1 6 21 84 1 0 21 85 1 0 22 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 47128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 49135 1 0 M END