HMDB0302056 RDKit 3D Cichorioside J 60 64 0 0 0 0 0 0 0 0999 V2000 4.1337 2.6789 -0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1266 1.4042 -0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8902 0.8483 -1.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 -0.6324 -1.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5126 -0.9157 -0.4298 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3580 0.2871 0.4172 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2930 0.2330 1.4709 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4371 -0.9232 2.2081 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9671 -2.0116 1.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8757 -2.1874 0.1546 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5375 -3.3158 -0.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4272 -2.1684 -0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6601 -1.0910 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9369 0.0801 0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1567 1.0771 1.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2331 1.2294 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1294 1.2700 1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4501 1.4090 1.4871 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8897 0.3374 0.7326 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4052 0.8479 -0.4582 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2431 -0.0886 -1.0501 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3839 0.2389 -2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2205 -0.6836 -3.1489 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5736 -0.0111 -0.3338 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2897 -1.2041 -0.4156 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3257 0.2801 1.1371 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2989 1.6336 1.4035 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0114 -0.3263 1.5415 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9602 -1.6839 1.3061 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9183 1.9542 1.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 3.0409 2.4809 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 1.4109 2.1814 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9543 3.4123 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3097 3.0631 0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8761 1.1543 -2.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6857 1.2410 -2.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0681 -1.1031 -2.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7598 -1.0364 -2.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 -1.1856 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 0.4805 0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4777 -2.9250 2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0516 -2.1441 1.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2278 -3.1680 -0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0262 -3.0020 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6868 -1.1244 -0.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3382 2.2335 0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4785 0.4933 -0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 2.1245 2.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9288 0.3420 2.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1068 -0.4214 0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8076 -1.0817 -0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8284 1.2502 -2.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3738 0.2444 -2.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3641 -1.4791 -2.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1726 0.8096 -0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2606 -0.9527 -0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1285 -0.1665 1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 2.1331 0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 -0.0880 2.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 -2.1217 2.0560 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 1 6 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 15 30 1 0 30 31 2 0 30 32 1 0 6 2 1 0 14 7 1 0 28 19 1 0 10 5 1 0 7 32 1 1 1 33 1 0 1 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 6 6 40 1 1 9 41 1 0 9 42 1 0 11 43 1 0 12 44 1 0 13 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 19 50 1 6 21 51 1 6 22 52 1 0 22 53 1 0 23 54 1 0 24 55 1 6 25 56 1 0 26 57 1 1 27 58 1 0 28 59 1 1 29 60 1 0 M END