HMDB0039365 RDKit 3D Isolimonic acid glucoside 91 96 0 0 0 0 0 0 0 0999 V2000 -6.0065 -1.2420 -1.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4893 -1.0809 -1.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9122 -2.3974 -2.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9769 -0.1236 -2.5694 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 0.1752 -2.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0936 0.4510 -0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7804 1.8228 -0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 2.0673 0.9135 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9934 2.0315 -1.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4672 3.4418 -0.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8539 4.1966 -0.1605 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6086 3.9360 -1.5594 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1065 -0.5800 -0.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7345 -1.6893 0.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2758 -1.8065 0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6766 -2.8423 0.5156 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5581 -0.5532 1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1315 -0.1289 2.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8617 0.4945 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6144 0.7715 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4133 1.1443 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9739 -0.1241 1.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5978 0.5246 2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9556 -0.6393 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9761 0.2723 -0.1663 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 0.4034 -1.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4227 -0.2590 -1.8477 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4846 0.3563 -1.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7490 -0.2027 -1.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8527 -1.5752 -1.7127 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5599 1.8284 -1.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1104 2.3106 -2.4755 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2143 2.5200 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 2.2227 0.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2630 1.8037 -1.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0675 2.4083 -2.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7499 -1.8429 0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8503 -1.9017 1.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2583 -3.2384 1.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4379 -3.8971 0.6329 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5104 -3.1080 0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1554 -0.9892 1.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1934 -2.3679 1.2872 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1769 -2.0447 2.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -2.2389 3.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 -2.7031 4.7932 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 -1.9780 3.8584 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3139 -2.2934 -1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3857 -0.6859 -2.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4615 -0.9003 -0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0547 -2.4534 -3.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5294 -3.2648 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8483 -2.5409 -1.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 -0.6961 -2.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2427 1.0245 -2.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0305 2.5942 -0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9251 1.6187 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 1.9730 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8815 1.4261 -0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4780 4.6403 -2.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0548 -0.1377 0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1071 -2.6942 0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1866 -1.6180 1.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 0.9849 2.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6689 -0.6587 3.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2093 -0.2053 2.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9257 1.4676 0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 1.6751 -1.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3541 -0.1132 -1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1427 1.7454 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2165 1.7899 0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9603 0.4202 3.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6708 1.6606 2.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6105 0.2302 2.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4379 -0.8693 -0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4522 -0.1732 -2.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5462 0.0364 -0.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6639 0.3030 -1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7345 0.0225 -2.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -1.7812 -0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2291 2.1938 -0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4275 3.2274 -2.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3046 3.5844 -1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 3.0132 0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8676 1.7803 -2.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 3.2836 -1.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3674 -1.1107 1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1156 -3.5585 1.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7573 -3.4924 -0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2457 -2.4944 2.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5564 -2.5819 4.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 10 12 1 0 6 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 19 1 0 19 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 28 29 1 0 29 30 1 0 28 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 22 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 13 2 1 0 42 17 1 0 19 6 1 0 35 26 1 0 41 37 2 0 44 42 1 0 1 48 1 0 1 49 1 0 1 50 1 0 3 51 1 0 3 52 1 0 3 53 1 0 5 54 1 0 5 55 1 0 7 56 1 0 8 57 1 0 9 58 1 0 9 59 1 0 12 60 1 0 13 61 1 0 14 62 1 0 14 63 1 0 18 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 20 68 1 0 20 69 1 0 21 70 1 0 21 71 1 0 23 72 1 0 23 73 1 0 23 74 1 0 24 75 1 0 26 76 1 0 28 77 1 0 29 78 1 0 29 79 1 0 30 80 1 0 31 81 1 0 32 82 1 0 33 83 1 0 34 84 1 0 35 85 1 0 36 86 1 0 38 87 1 0 39 88 1 0 41 89 1 0 44 90 1 0 47 91 1 0 M END