HMDB0032476 RDKit 3D Polyoxyethylene (600) monoricinoleate 64 63 0 0 0 0 0 0 0 0999 V2000 8.2867 2.2467 0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2720 1.9963 -0.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1969 0.9974 -1.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4117 -0.3103 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4094 -1.3672 -0.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0038 -1.0581 -0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 -0.7966 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2629 -1.9437 1.5595 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -0.4037 1.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4463 -1.4342 0.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4477 -1.1737 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4613 -2.2274 -0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9509 -1.8157 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -0.5716 -0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6965 -0.0782 -0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7277 -1.1074 -0.7692 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1079 -0.6140 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4946 0.6272 -1.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8723 1.0056 -0.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3831 2.0217 -1.3479 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5720 0.2490 0.0657 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8706 0.5851 0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9405 1.9179 1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4080 2.1685 1.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2386 2.3801 0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6784 1.3565 1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8730 3.1440 0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0873 2.9773 -1.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2697 1.6031 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2783 0.8902 -2.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2341 1.4721 -1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4390 -0.6597 -0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3968 -0.1350 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4527 -1.5589 -2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6882 -2.3332 -0.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5455 -0.2486 -1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3913 -1.9628 -0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5051 0.0283 1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5528 -2.5849 1.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2372 0.5438 0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3716 -0.1477 2.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4908 -2.4113 1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -0.1796 -0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5385 -2.4769 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7281 -3.1582 0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0671 -1.6130 1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6279 -2.6351 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2612 -0.8227 -1.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5487 0.2206 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8859 0.8484 -0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7595 0.1941 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5983 -1.3541 -1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5559 -2.0136 -0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8254 -1.4264 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 -0.5207 0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4814 0.4510 -2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8164 1.4843 -0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2645 -0.1755 1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5693 0.5128 -0.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3242 1.8841 2.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5609 2.7511 0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5162 1.9914 2.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0839 1.5339 0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6380 3.2371 1.2834 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 7 9 1 0 9 10 1 0 10 11 2 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 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 10 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 0 15 51 1 0 16 52 1 0 16 53 1 0 17 54 1 0 17 55 1 0 18 56 1 0 18 57 1 0 22 58 1 0 22 59 1 0 23 60 1 0 23 61 1 0 24 62 1 0 24 63 1 0 24 64 1 0 M END