HMDB0038085 RDKit 3D Pelargonidin 3-rhamnoside 51 54 0 0 0 0 0 0 0 0999 V2000 4.6818 1.0512 -1.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8155 0.6910 -0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5469 0.4323 -0.7252 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6695 0.0198 0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4641 -0.2725 -0.3194 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 0.2139 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8719 1.1088 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1112 1.5976 1.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3153 2.4813 2.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2366 2.9000 3.2582 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6027 2.9444 2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7008 2.5411 2.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9813 3.0009 2.4322 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4988 1.6670 1.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2154 1.1965 0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0366 0.3759 -0.2199 O 0 0 0 0 0 3 0 0 0 0 0 0 -1.8758 -0.1383 -0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9091 -1.0564 -1.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 -1.6724 -2.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8895 -2.5514 -3.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1144 -2.8018 -3.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -3.6662 -5.0536 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2357 -2.1941 -3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 -1.3416 -2.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 -1.3134 0.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2933 -1.5876 1.9355 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5105 -0.9843 1.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2969 0.0105 2.4426 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 -0.5365 0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7047 -0.2811 0.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0939 1.4765 -2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2001 0.1502 -1.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4465 1.8161 -1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8789 1.5073 0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6599 0.7076 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0179 1.4214 1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2824 2.6779 3.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7404 3.6344 3.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3652 3.8534 2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3355 1.3273 0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1463 -1.4994 -1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0154 -3.0062 -3.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4015 -4.6494 -4.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2219 -2.3943 -3.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0244 -0.8521 -1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2215 -2.0989 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2535 -2.5258 2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9247 -1.8833 2.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3365 -0.2905 3.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4277 -1.3298 -0.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7738 0.1230 1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 4 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 2 1 0 17 6 1 0 24 18 1 0 15 8 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 4 35 1 0 7 36 1 0 10 37 1 0 11 38 1 0 13 39 1 0 14 40 1 0 19 41 1 0 20 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 25 46 1 0 26 47 1 0 27 48 1 0 28 49 1 0 29 50 1 0 30 51 1 0 M CHG 1 16 1 M END