HMDB0041160 RDKit 3D Cyanidin 3-O-[b-D-Xylopyranosyl-(1->2)-[(4-hydroxybenzoyl)-(->6)-b-D-glucopyr... 104110 0 0 0 0 0 0 0 0999 V2000 9.2287 -1.1791 -0.8797 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2897 -0.4429 -0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9686 -0.7298 -0.8051 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7507 -1.8724 -1.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2758 -2.1148 -1.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5318 -2.3012 -0.7702 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1706 -2.0182 -1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7694 -0.8319 -0.7913 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 -0.1269 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -0.4711 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1609 0.5240 0.6889 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 0.2881 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3779 1.2367 0.8706 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1917 2.1441 0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2232 2.2463 -1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0501 3.1672 -1.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1500 3.3431 -3.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 2.5757 -3.9114 O 0 0 0 0 0 0 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0 0 0 11.2267 2.3405 1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6546 4.9519 2.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0939 3.3060 1.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5643 1.2844 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 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 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 34 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 7 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 2 55 1 0 55 56 2 0 56 57 1 0 57 58 2 0 58 59 1 0 58 60 1 0 60 61 2 0 53 5 1 0 61 55 1 0 47 10 1 0 25 14 1 0 33 26 1 0 43 36 1 0 23 16 1 0 4 62 1 0 4 63 1 0 5 64 1 0 7 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 12 69 1 0 15 70 1 0 18 71 1 0 19 72 1 0 21 73 1 0 22 74 1 0 27 75 1 0 28 76 1 0 30 77 1 0 32 78 1 0 33 79 1 0 34 80 1 0 36 81 1 0 38 82 1 0 38 83 1 0 39 84 1 0 40 85 1 0 41 86 1 0 42 87 1 0 43 88 1 0 44 89 1 0 45 90 1 0 46 91 1 0 47 92 1 0 48 93 1 0 49 94 1 0 50 95 1 0 51 96 1 0 52 97 1 0 53 98 1 0 54 99 1 0 56100 1 0 57101 1 0 59102 1 0 60103 1 0 61104 1 0 M CHG 1 24 1 M END