HMDB0302055 RDKit 3D Cichorioside I 59 62 0 0 0 0 0 0 0 0999 V2000 -2.9675 -3.0478 -1.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9538 -1.6449 -1.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -1.2197 -0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6648 -2.0662 -0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5207 -3.2492 -1.1757 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -1.2446 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1746 -0.0479 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4675 1.0725 0.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7305 0.8539 1.4095 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 0.6012 0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4862 -0.4641 0.8912 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 -0.9609 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1807 -2.0141 0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9972 -1.4037 1.3496 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9954 0.1398 -0.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5891 0.3305 -2.2005 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0161 1.4226 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0007 1.3891 0.9129 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 1.8039 0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 2.2046 1.8144 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5310 0.0943 -0.4035 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4825 0.6493 0.5923 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0443 1.9747 0.8622 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8793 0.8282 0.0441 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6003 -0.4384 -0.2654 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1986 -0.8272 -1.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9610 -0.0405 -0.2017 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1055 0.9888 0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1849 1.4606 1.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7524 1.4343 1.1208 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4674 0.8808 2.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9632 -3.3063 -2.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -3.2354 -2.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8103 -3.7463 -1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2596 -1.6509 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 1.1956 1.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3893 2.0048 0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3805 0.5132 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5544 -1.4255 -0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5726 -2.8149 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8058 -2.4502 -0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9363 -1.4406 1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0657 -0.2085 -0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3723 0.6165 -2.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3351 2.2404 -0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5926 1.2935 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 2.5767 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8343 3.1895 1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4004 0.8635 -1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 0.1055 1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1224 2.4351 -0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8181 1.5280 -0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3403 -1.2322 0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9453 0.0794 -2.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 -1.4178 -2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6834 2.5318 1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5679 1.3257 2.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3249 1.1954 3.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4732 -0.2261 2.5062 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 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 7 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 26 2 1 0 21 3 1 0 30 24 1 0 19 10 1 0 1 32 1 0 1 33 1 0 1 34 1 0 6 35 1 0 8 36 1 0 8 37 1 0 10 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 15 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 21 49 1 6 22 50 1 1 23 51 1 0 24 52 1 6 25 53 1 1 26 54 1 0 26 55 1 0 30 56 1 1 31 57 1 0 31 58 1 0 31 59 1 0 M END