HMDB0030670 RDKit 3D Chrysophanol 29 31 0 0 0 0 0 0 0 0999 V2000 4.6254 -0.8234 0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2233 -0.2898 0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9865 1.0538 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6977 1.5446 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4461 2.8782 -0.3989 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5957 0.6913 -0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8264 -0.6540 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 -1.1170 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3293 -1.5276 0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1507 -2.7527 0.4014 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -1.0279 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7919 -1.8652 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0699 -1.3547 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3183 -0.0077 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2198 0.8185 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4095 2.1995 -0.3567 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 0.3236 -0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7729 1.1986 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9352 2.4331 -0.3619 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0267 -0.6787 1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2605 -0.2586 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6567 -1.8932 -0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 1.7176 -0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2219 3.5162 -0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 -2.1788 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5825 -2.9146 0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9188 -2.0198 0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3253 0.3877 -0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3321 2.6008 -0.4258 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 4 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 8 2 1 0 17 11 1 0 18 6 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 5 24 1 0 8 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 16 29 1 0 M END