HMDB0037975 RDKit 3D Cyanidin 3-rhamnoside 52 55 0 0 0 0 0 0 0 0999 V2000 4.4161 2.1481 -0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7124 0.8690 -1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3576 0.9554 -1.1321 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 0.0620 -0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5024 0.3409 -0.0091 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -0.3927 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -1.7019 -0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 -2.3999 -0.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6997 -3.6883 -1.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5262 -4.3289 -1.7182 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9404 -4.3210 -1.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1177 -3.6979 -1.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3456 -4.3446 -1.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0922 -2.4270 -0.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 -1.7782 -0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9282 -0.5731 -0.1358 O 0 0 0 0 0 3 0 0 0 0 0 0 -1.8471 0.1783 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0453 1.5249 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 2.4247 0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4155 3.6783 1.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 4.0805 1.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9823 5.3608 2.1236 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6894 3.1583 1.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0116 3.4724 1.5365 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3532 1.9174 0.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 0.2055 1.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1081 -0.3401 2.1604 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -0.5679 0.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -1.9307 0.9425 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3403 -0.3489 -0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7201 -0.2344 -0.7531 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 2.8942 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9343 1.9830 0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1435 2.5141 -1.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 0.8194 -2.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0039 -0.9499 -0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4336 -2.1061 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 -3.9299 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9477 -5.3132 -1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7123 -4.8867 -0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0250 -1.9297 -0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 2.1975 0.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6095 4.3691 1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9316 5.6316 2.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3956 4.3269 1.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1866 1.2465 0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8955 1.2785 1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 -1.3115 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7637 -0.3503 1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6798 -2.4212 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -1.2285 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1516 -0.1350 0.1317 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 2 0 4 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 2 1 0 17 6 1 0 25 18 1 0 15 8 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 4 36 1 0 7 37 1 0 10 38 1 0 11 39 1 0 13 40 1 0 14 41 1 0 19 42 1 0 20 43 1 0 22 44 1 0 24 45 1 0 25 46 1 0 26 47 1 0 27 48 1 0 28 49 1 0 29 50 1 0 30 51 1 0 31 52 1 0 M CHG 1 16 1 M END