HMDB0031468 RDKit 3D Cyanidin 3-glucogalactoside 74 78 0 0 0 0 0 0 0 0999 V2000 8.1171 -1.8744 -1.0444 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7581 -2.1654 -1.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0323 -0.8310 -1.4216 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7002 -1.1231 -1.5763 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8749 -0.0860 -1.0790 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6770 -0.2360 0.2751 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4163 -0.5626 0.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3353 0.4465 0.3892 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1425 -0.1372 0.8292 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9331 0.7671 0.6635 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1363 0.1158 0.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1372 -0.1073 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9945 0.3635 -1.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9974 0.1497 -2.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8761 0.6057 -3.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7187 1.2838 -3.9729 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8911 0.3850 -4.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0497 -0.2941 -4.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0583 -0.5011 -5.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1559 -0.7417 -2.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1613 -0.5360 -1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2304 -0.9436 -0.7355 O 0 0 0 0 0 3 0 0 0 0 0 0 -4.3016 -0.7729 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6115 -1.3306 1.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8491 -1.9404 1.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1893 -2.4779 2.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3125 -2.4224 3.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7063 -2.9794 5.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0911 -1.8168 3.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 -1.7218 4.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7234 -1.2570 2.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7088 1.8170 1.7665 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7920 2.6816 1.8476 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4842 2.6241 1.3042 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8212 3.6210 2.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6591 1.6859 1.1900 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1151 1.4029 2.4553 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5173 1.2247 -1.3798 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9403 1.2843 -2.7164 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6968 1.4213 -0.4433 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2437 1.8349 0.8121 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3438 0.0594 -0.2663 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7184 0.2735 -0.2132 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6924 -2.3818 -1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3682 -2.7042 -0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6731 -2.7969 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 -0.3971 -2.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9126 -0.2363 -1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 -0.7580 1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1479 -1.5765 0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3163 0.6321 -0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7519 1.2258 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1348 0.8943 -1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6419 1.6130 -4.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8121 0.7393 -5.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0384 -1.3526 -5.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0416 -1.2718 -2.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5295 -1.9755 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1704 -2.9503 2.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1287 -2.9786 5.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3564 -2.0926 5.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7607 -0.7984 2.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5378 1.3036 2.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 2.8947 2.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2437 3.0247 0.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2589 3.5089 3.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4509 2.2388 0.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6855 1.9583 3.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8126 2.0521 -1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0996 1.2095 -3.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3918 2.1819 -0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 1.0933 1.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0235 -0.4161 0.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8984 0.9272 0.5334 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 2 0 10 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 5 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 3 1 0 36 8 1 0 23 12 1 0 31 24 1 0 21 14 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 6 5 48 1 6 7 49 1 0 7 50 1 0 8 51 1 6 10 52 1 6 13 53 1 0 16 54 1 0 17 55 1 0 19 56 1 0 20 57 1 0 25 58 1 0 26 59 1 0 28 60 1 0 30 61 1 0 31 62 1 0 32 63 1 1 33 64 1 0 34 65 1 6 35 66 1 0 36 67 1 6 37 68 1 0 38 69 1 6 39 70 1 0 40 71 1 6 41 72 1 0 42 73 1 1 43 74 1 0 M CHG 1 22 1 M END