HMDB0031611 RDKit 3D Cyanidin 3-O-[b-D-Glucopyranosyl-(1->2)-[3,4-dihydroxy-E-cinnamoyl-(->6)]-b-D... 113119 0 0 0 0 0 0 0 0999 V2000 4.4593 -2.6364 -3.1135 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8361 -2.3947 -1.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1070 -2.9294 -1.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5971 -2.7327 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8633 -3.2522 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2554 -2.9479 1.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4387 -3.3836 2.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2527 -4.1717 1.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4538 -4.6387 1.7906 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8780 -4.4865 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7567 -5.2924 -0.7568 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 -4.0401 -0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 -1.6195 -1.1704 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 -1.1359 -1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0166 -0.3514 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8079 0.1319 -1.1246 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0883 0.7099 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0412 -0.2338 0.9726 O 0 0 0 0 0 0 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40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 45 47 1 0 47 48 1 0 47 49 2 0 17 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 54 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 50 63 1 0 63 64 1 0 63 65 1 0 65 66 1 0 12 5 1 0 65 15 1 0 41 19 1 0 49 42 1 0 61 52 1 0 39 21 1 0 33 24 1 0 3 67 1 0 4 68 1 0 6 69 1 0 7 70 1 0 9 71 1 0 11 72 1 0 12 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 17 77 1 0 20 78 1 0 24 79 1 0 26 80 1 0 27 81 1 0 27 82 1 0 28 83 1 0 29 84 1 0 30 85 1 0 31 86 1 0 32 87 1 0 33 88 1 0 34 89 1 0 35 90 1 0 37 91 1 0 38 92 1 0 43 93 1 0 44 94 1 0 46 95 1 0 48 96 1 0 49 97 1 0 50 98 1 0 52 99 1 0 54100 1 0 55101 1 0 55102 1 0 56103 1 0 57104 1 0 58105 1 0 59106 1 0 60107 1 0 61108 1 0 62109 1 0 63110 1 0 64111 1 0 65112 1 0 66113 1 0 M CHG 1 40 1 M END