HMDB0259600 RDKit 3D Cholylsarcosine 79 82 0 0 0 0 0 0 0 0999 V2000 2.7780 -1.4846 1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6784 -0.7654 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1632 0.6433 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5766 0.8274 0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5961 0.2304 -0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2523 -0.2769 -1.5031 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9801 0.1965 -0.0857 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4843 0.7629 1.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9685 -0.3944 -0.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4539 0.6812 -1.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0215 1.8506 -1.7986 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4150 0.3843 -2.8193 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3381 -0.9162 -0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -2.4016 -0.8777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3162 -2.6361 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9217 -1.3122 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2177 -1.0099 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2156 -2.0769 -0.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 -3.2679 0.2735 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5637 -1.7492 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6488 -0.3372 0.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0985 -0.0487 1.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3738 1.3702 1.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7393 1.6097 1.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6155 2.3808 0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1689 2.0231 0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0553 0.6630 -0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9631 0.6535 -1.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6802 0.2932 -0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6712 1.3891 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2665 1.0091 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0929 0.9323 -2.0326 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1558 -0.3242 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0345 -0.2559 1.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8722 -2.0494 1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6004 -2.2626 1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 -0.7698 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3825 -1.2952 -0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 1.3036 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 1.0652 -0.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7728 0.4170 1.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8026 1.9279 0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5391 1.0261 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3789 -0.0524 1.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8222 1.5865 1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5481 -1.2521 -1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8213 -0.7497 -0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3644 0.2756 -2.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -0.4820 -1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8359 -3.0273 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 -2.6998 -1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2771 -2.9870 0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -3.4489 -0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9992 -1.1259 -1.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2221 -0.8947 1.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1962 -2.1666 -1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6234 -3.0706 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8586 -2.4286 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3543 -1.8931 -0.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1100 -0.3079 1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3773 -0.6793 1.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7723 -0.4324 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0993 1.4998 2.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2647 0.7903 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1232 2.6609 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6218 3.3380 1.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 2.0195 1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7266 2.7841 -0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0123 0.8141 -1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8696 -0.3492 -1.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5512 1.3854 -2.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6334 0.0560 -1.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 1.8816 0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9385 2.1956 -1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3982 1.8022 -0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 1.3243 -2.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 0.1019 1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7949 0.4761 1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3413 -1.2064 1.8914 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 2 0 5 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 2 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 18 20 1 0 20 21 1 0 21 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 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 13 1 0 33 16 1 0 29 17 1 0 27 21 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 8 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 12 48 1 0 13 49 1 0 14 50 1 0 14 51 1 0 15 52 1 0 15 53 1 0 16 54 1 0 17 55 1 0 18 56 1 0 19 57 1 0 20 58 1 0 20 59 1 0 21 60 1 0 22 61 1 0 22 62 1 0 23 63 1 0 24 64 1 0 25 65 1 0 25 66 1 0 26 67 1 0 26 68 1 0 28 69 1 0 28 70 1 0 28 71 1 0 29 72 1 0 30 73 1 0 30 74 1 0 31 75 1 0 32 76 1 0 34 77 1 0 34 78 1 0 34 79 1 0 M END