HMDB0029237 RDKit 3D Cyanidin 3-(6''-succinyl-glucoside) 64 67 0 0 0 0 0 0 0 0999 V2000 9.5038 -0.0483 0.1085 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2603 -0.7831 -0.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3413 -1.2863 -1.5899 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8684 -1.0933 -1.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8988 -0.4064 -0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4971 -0.6942 -0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2052 -1.4441 -1.7192 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4205 -0.1759 -0.0315 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -0.4676 -0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0902 0.2175 0.5015 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8344 -0.1229 0.0661 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 0.2698 0.9296 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3810 -0.0346 0.3031 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4494 0.6956 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4823 2.0746 0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 2.8517 -0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6141 4.2088 0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5202 4.8208 0.8021 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7254 4.9506 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7961 4.3331 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9087 5.1043 -1.1829 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7254 2.9890 -1.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6117 2.2211 -0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5837 0.9423 -0.9819 O 0 0 0 0 0 3 0 0 0 0 0 0 -3.5382 0.1610 -0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6326 -1.2416 -1.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7051 -2.2084 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8699 -3.5487 -1.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0169 -3.9631 -1.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1425 -5.3052 -2.1074 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9705 -3.0051 -2.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 -3.3819 -2.6633 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7932 -1.6828 -1.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0232 -0.5708 2.1993 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0857 -0.5582 3.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2606 -0.0058 2.8599 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5480 -0.8220 3.9776 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4069 -0.1867 1.9020 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4839 0.5855 2.3412 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8638 -0.6929 -2.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6446 -0.7099 -2.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6984 -2.1949 -1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0828 0.6846 -0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1089 -0.6944 0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9747 -1.5713 -0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9049 -0.1828 -1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2754 1.3245 0.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1129 1.3213 1.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 2.5117 0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5581 5.8129 0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7777 6.0135 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6837 4.6479 -1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5485 2.4703 -1.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7925 -1.9586 -0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1066 -4.2852 -0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9007 -5.7403 -2.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2822 -4.3311 -2.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5755 -0.9583 -1.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3053 -1.5979 1.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 -1.4578 3.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 1.0373 3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9772 -1.6347 3.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 -1.2485 1.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3104 0.0457 2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 20 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 28 29 2 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 2 0 12 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 10 1 0 25 14 1 0 33 26 1 0 23 16 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 9 45 1 0 9 46 1 0 10 47 1 1 12 48 1 1 15 49 1 0 18 50 1 0 19 51 1 0 21 52 1 0 22 53 1 0 27 54 1 0 28 55 1 0 30 56 1 0 32 57 1 0 33 58 1 0 34 59 1 6 35 60 1 0 36 61 1 1 37 62 1 0 38 63 1 6 39 64 1 0 M CHG 1 24 1 M END