HMDB0029243 RDKit 3D Cyanidin 3-O-(6''-malonyl-arabinoside) 57 60 0 0 0 0 0 0 0 0999 V2000 8.3591 -1.5715 -1.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0166 -0.7004 -0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3416 -0.8780 0.9116 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2787 0.4862 -0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8872 0.1078 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5176 -1.0700 -1.0357 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0249 1.0615 -1.6071 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7019 0.9672 -1.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7672 0.8029 -0.7982 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4343 0.6918 -1.2391 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7401 -0.1067 -0.3538 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5351 0.3362 -0.1007 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7339 -0.3205 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -1.7123 -0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9738 -2.4243 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0307 -3.7863 -0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8565 -4.4595 -0.6813 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2225 -4.4703 -0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3885 -3.7472 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5995 -4.4264 -0.0455 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3065 -2.3887 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1124 -1.6843 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0554 -0.4022 0.2473 O 0 0 0 0 0 3 0 0 0 0 0 0 -2.9193 0.3077 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0135 1.7507 0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9671 2.6214 0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1076 3.9927 0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3422 4.5143 0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4676 5.8770 1.2012 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 3.6304 1.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6782 4.0550 1.3595 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2409 2.2988 0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6007 -0.1428 0.9258 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3787 -1.2831 1.6499 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9937 -0.2465 0.2218 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9560 0.1032 1.1782 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8264 -1.7009 1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7079 0.9149 -1.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3133 1.3097 -0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 1.9212 -2.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5806 0.1085 -2.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7207 1.7812 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7481 -1.1671 -0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8782 -2.2149 -0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7651 -5.4431 -0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3261 -5.5351 -0.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4323 -3.9026 0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2256 -1.8588 0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9765 2.2874 0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2742 4.6641 0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3581 6.2600 1.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8695 5.0094 1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0886 1.6036 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5458 0.8052 1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -2.0495 1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0609 -1.2782 -0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5158 0.7016 1.8583 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 2 0 5 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 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 2 0 11 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 9 1 0 24 13 1 0 32 25 1 0 22 15 1 0 3 37 1 0 4 38 1 0 4 39 1 0 8 40 1 0 8 41 1 0 9 42 1 1 11 43 1 6 14 44 1 0 17 45 1 0 18 46 1 0 20 47 1 0 21 48 1 0 26 49 1 0 27 50 1 0 29 51 1 0 31 52 1 0 32 53 1 0 33 54 1 1 34 55 1 0 35 56 1 6 36 57 1 0 M CHG 1 23 1 M END