HMDB0252073 RDKit 3D 1,2-Ethanediol monoricinoleate 62 61 0 0 0 0 0 0 0 0999 V2000 -9.2286 -1.7810 -0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7710 -2.0719 -0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0393 -1.5470 -1.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5693 -1.8063 -1.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8541 -1.2004 -0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9177 0.2653 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 0.8070 0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2506 2.1814 0.9505 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7184 0.3333 0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0185 0.8834 2.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 1.6826 1.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3211 2.1712 0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1244 1.6916 0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8693 2.1500 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2985 1.6715 -0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 0.1707 -0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8613 -0.2221 -0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6145 0.3246 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0383 -0.1587 0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8708 0.1612 1.5905 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4544 -0.9504 -0.3237 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7618 -1.4115 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7917 -0.3293 -0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0436 -0.9710 -0.6962 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7939 -2.6723 -0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6602 -1.5276 0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4137 -0.8823 -1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3111 -1.7562 0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6440 -3.1938 -0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2895 -0.4807 -1.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4422 -2.1124 -2.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1342 -1.4572 -2.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4223 -2.9066 -1.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1696 -1.6771 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 -1.4841 -0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4359 0.7659 -1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9345 0.6982 -0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6547 0.3508 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1696 2.4489 0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 0.5022 -0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7089 -0.7949 0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4003 0.6019 3.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5534 2.0163 2.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 1.8191 -0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3531 3.2956 0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6461 2.0609 1.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0815 0.6010 0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3521 1.8331 -1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 3.2610 -0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 2.0288 -1.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 2.0870 0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9913 -0.2713 -1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8836 -0.2809 0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3915 0.1284 -1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 -1.3399 -0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1823 -0.0658 1.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6153 1.4429 0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -2.0074 -1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0819 -2.1035 0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6713 0.2861 -1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8663 0.2856 0.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0193 -1.5441 -1.4909 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 3 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 M END