HMDB0029886 RDKit 3D Sorbitan oleate 74 74 0 0 0 0 0 0 0 0999 V2000 7.7666 0.2554 -2.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7059 -0.7152 -1.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8848 -1.6515 -0.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8968 -2.4096 -1.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0505 -3.3481 -0.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2280 -2.8880 0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1754 -1.9098 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 -0.5520 -0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1617 0.1764 -0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 1.2813 0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6183 1.9977 0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 2.0167 1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 2.7116 1.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2553 2.0020 0.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5686 2.7346 0.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1455 2.8126 2.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4359 1.4987 2.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4260 0.6824 2.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0054 -0.1410 1.1924 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7564 0.8430 2.2141 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8436 0.2493 1.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1326 0.5420 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3171 1.9359 0.0208 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4934 -0.0456 -0.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2826 0.4108 -1.3586 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8259 -0.4268 -2.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6430 -1.7088 -2.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6633 -1.6014 -3.2299 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2975 -1.5457 -0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5049 -2.2253 -0.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9862 0.5415 -1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3185 -0.1612 -3.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3562 1.1760 -2.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3317 -1.2650 -2.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3386 -0.1205 -0.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3289 -1.0279 0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5163 -2.4145 -0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5902 -3.0825 -2.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3548 -1.8247 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6570 -4.2830 -0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3322 -3.8070 -1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8530 -2.6151 1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6887 -3.8257 0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4019 -2.3384 -0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5231 -1.7496 1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8508 -0.5484 -1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1635 0.0286 0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3697 -0.1966 -1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6914 1.7044 0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9282 1.3434 -0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7158 3.0009 -0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0071 0.9756 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7527 2.5663 2.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5895 2.7867 2.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1118 3.7586 1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3156 0.9345 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9324 2.1149 -0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3746 3.7755 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 2.2238 0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5663 3.4382 2.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1335 3.3491 2.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8801 1.6022 3.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5082 0.8945 2.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7377 0.5281 2.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7601 -0.8557 1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2768 0.2114 0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3306 2.3794 0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1897 0.1018 -1.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7649 -0.7536 -2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9217 0.0376 -3.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0447 -2.6161 -2.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3715 -2.2657 -3.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5398 -1.9032 -0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4904 -2.8000 -0.0408 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 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 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 24 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 0 6 43 1 0 7 44 1 0 7 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 13 54 1 0 13 55 1 0 14 56 1 0 14 57 1 0 15 58 1 0 15 59 1 0 16 60 1 0 16 61 1 0 17 62 1 0 17 63 1 0 21 64 1 0 21 65 1 0 22 66 1 0 23 67 1 0 24 68 1 0 26 69 1 0 26 70 1 0 27 71 1 0 28 72 1 0 29 73 1 0 30 74 1 0 M END