HMDB0036408 RDKit 3D Franguloside 50 53 0 0 0 0 0 0 0 0999 V2000 6.9183 2.3768 1.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9953 1.3940 0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4769 0.3147 0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6142 -0.6167 -0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1547 -1.6692 -1.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2390 -0.3980 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7958 0.6992 0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 1.6208 1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3554 0.8896 0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8843 1.8893 1.2152 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3824 -0.0163 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 0.2374 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9136 -0.6018 -0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2476 -0.2932 -0.2557 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3436 -1.0141 -0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -0.1585 -1.5168 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1460 0.4358 -0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4754 1.7221 -1.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8941 0.8296 0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1898 2.0434 0.6623 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2343 -0.2299 1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8671 -0.4924 2.5642 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1329 -1.4805 0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3109 -2.3818 1.1583 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4544 -1.6818 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 -1.9665 -1.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2856 -3.0567 -1.9763 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8621 -1.1135 -0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2957 -1.3374 -0.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 -2.3365 -1.4739 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8463 2.4810 1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4094 3.3423 1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1634 1.9629 2.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5402 0.1348 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8491 -2.4331 -1.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2617 2.4590 1.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3097 1.1156 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1169 -1.9109 -1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0966 -0.1711 -0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4764 2.0871 -1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3327 1.5441 -2.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7137 2.5062 -1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8959 1.0378 1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 2.8181 0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1822 0.0910 1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6134 -1.1246 2.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1072 -1.8881 0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6272 -1.8492 1.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1524 -2.3623 -1.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -3.4484 -2.2148 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 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 13 25 2 0 25 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 29 30 2 0 8 2 1 0 28 11 1 0 29 6 1 0 23 15 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 5 35 1 0 8 36 1 0 12 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 25 49 1 0 27 50 1 0 M END