HMDB0034116 RDKit 3D Homopisatin 38 41 0 0 0 0 0 0 0 0999 V2000 -6.2411 0.6883 1.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6406 0.3162 0.3128 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 0.0899 0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4955 0.2279 1.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1365 0.0135 1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5161 -0.3466 0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2782 -0.4920 -0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6401 -0.2780 -0.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6803 -0.8614 -2.1005 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2602 -0.7976 -2.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 0.0586 -1.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2611 1.3358 -1.2771 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7433 0.0970 -1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8163 0.1169 -1.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 0.1573 -1.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3935 0.1794 -0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7119 0.2204 0.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9485 0.2417 1.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3176 0.1593 0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 0.1185 0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7754 0.0922 0.9713 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -0.6112 0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3238 0.8835 1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1581 -0.2013 2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7247 1.5265 2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9828 0.5162 2.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5432 0.1224 2.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2488 -0.3843 -1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1442 -1.8275 -2.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0132 -0.3536 -3.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 1.7279 -2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6619 0.1010 -3.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9493 0.1727 -2.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5428 1.1750 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3841 -0.5958 2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9973 0.0896 1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5497 0.1771 1.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1612 -1.6821 0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 8 3 1 0 22 11 1 0 22 6 1 0 20 13 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 5 27 1 0 8 28 1 0 10 29 1 0 10 30 1 0 12 31 1 0 14 32 1 0 15 33 1 0 18 34 1 0 18 35 1 0 18 36 1 0 19 37 1 0 22 38 1 0 M END