HMDB0242175 RDKit 3D gamma-CEHC glucuronide 59 61 0 0 0 0 0 0 0 0999 V2000 1.6468 -2.4007 -0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5454 -1.4760 -0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8401 -0.2050 0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0552 0.3604 0.1995 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3584 0.1416 0.0471 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0355 0.3025 1.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4033 0.4198 1.0505 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1729 0.1662 2.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5685 -0.1060 3.3397 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 0.2243 2.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7311 1.8590 0.6172 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8091 1.8644 -0.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 2.3749 -0.0282 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5301 2.5443 1.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9388 1.2429 -0.8885 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9288 0.6790 -1.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2887 0.5716 0.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5753 0.1185 0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -1.1544 -0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7472 -1.9391 -0.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0186 -3.3384 -0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1109 -1.7013 -0.2361 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 -0.8724 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3375 -1.7428 0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6913 -0.1760 -1.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8684 0.7121 -0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3113 1.3820 -2.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7026 1.1622 -3.3094 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3835 2.2407 -2.2125 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8815 0.1430 1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7315 1.0077 0.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 -1.9251 -1.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1824 -3.3267 -1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3085 -2.6378 0.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6966 -0.8343 -0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7462 -0.3002 0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1359 0.3504 1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9273 2.4596 1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7418 2.5089 -0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6009 3.2859 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7055 2.9959 0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1626 1.6380 -1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 -0.2553 -1.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1032 1.5832 0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0774 -3.5706 -0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 -4.0696 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7295 -3.4455 -2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9469 -2.7306 0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9828 -2.0151 -0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9169 -1.2724 1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9757 -0.9282 -1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8342 0.4231 -1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7147 0.0979 -0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6455 1.5263 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7669 2.6027 -1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6178 -0.4822 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7895 0.6819 1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0169 1.6796 -0.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3976 1.5553 1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 7 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 3 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 23 30 1 0 30 31 1 0 20 2 1 0 15 5 1 0 31 18 1 0 1 32 1 0 1 33 1 0 1 34 1 0 5 35 1 6 7 36 1 6 10 37 1 0 11 38 1 1 12 39 1 0 13 40 1 6 14 41 1 0 15 42 1 6 16 43 1 0 17 44 1 0 21 45 1 0 21 46 1 0 21 47 1 0 24 48 1 0 24 49 1 0 24 50 1 0 25 51 1 0 25 52 1 0 26 53 1 0 26 54 1 0 29 55 1 0 30 56 1 0 30 57 1 0 31 58 1 0 31 59 1 0 M END