HMDB0013206 RDKit 3D 9-Decenoylcholine 48 47 0 0 0 0 0 0 0 0999 V2000 7.1859 1.4902 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3845 1.6814 -0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1392 0.8856 -0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9906 -0.0743 0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7412 -0.8982 0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4923 -0.0800 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2498 -0.9439 0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2217 -1.7514 -0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0156 -2.6017 -0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2442 -1.8274 -0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 -2.4137 -0.9162 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3795 -0.4640 -0.9497 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5966 0.1943 -0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 -0.0291 0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7339 0.7584 -0.0798 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.5038 0.8791 1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4637 2.0844 -0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5752 0.0287 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0923 2.0534 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 0.7555 1.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6471 2.4274 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 0.3285 -1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2397 1.5336 -0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8541 -0.7748 0.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 0.4573 1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6925 -1.5600 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8389 -1.5081 -0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4592 0.5300 1.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4466 0.6395 -0.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -1.6423 1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -0.2677 0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2179 -1.0965 -1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1242 -2.4249 -0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0603 -3.3493 -0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1063 -3.2218 -1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 1.2949 -0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1176 -0.0107 -1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8941 -1.0621 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1103 0.3464 1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3150 0.1169 1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0008 1.8737 1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8422 0.7884 2.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4651 2.6095 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1297 2.1168 -1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8224 2.6090 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1999 0.1406 -2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5894 -1.0285 -0.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6051 0.4069 -0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 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 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 18 48 1 0 M CHG 1 15 1 M END