HMDB0303037 RDKit 3D Cyanidin 3-O-alpha-L-galactoside 53 56 0 0 0 0 0 0 0 0999 V2000 3.3929 -1.2602 -2.0685 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6682 -2.1878 -1.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 -1.7695 0.3124 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1126 -1.4383 0.6092 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7884 -0.1247 0.2718 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4347 0.1045 0.4616 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5912 0.0869 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3733 -0.2192 -1.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4206 -0.2400 -2.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2291 -0.5361 -4.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 -0.8261 -4.5158 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2824 -0.5594 -4.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5401 -0.2760 -4.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6067 -0.2919 -5.3693 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7234 0.0209 -3.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6953 0.0462 -2.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8443 0.3180 -0.9721 O 0 0 0 0 0 3 0 0 0 0 0 0 -1.8772 0.3550 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3051 0.6914 1.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4655 0.8559 2.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9678 1.1479 3.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3264 1.2781 3.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8616 1.5649 5.0842 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 1.1128 2.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5854 1.2376 2.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6656 0.8285 1.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6255 0.9169 0.9367 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9555 1.8959 1.6164 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6521 0.1626 1.7817 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5095 1.0117 2.4622 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4013 -0.7398 0.8082 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8958 0.0668 -0.1767 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 -0.5845 -2.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 -2.5159 -1.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0637 -3.1101 -1.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6316 -2.6921 0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9771 -0.0714 -0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -0.4417 -2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8457 -0.8523 -3.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0932 -0.7918 -5.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4548 -0.5094 -6.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7193 0.2416 -2.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4066 0.7650 2.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2823 1.2806 4.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8599 1.6443 5.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1922 1.1124 2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3518 0.7042 0.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2527 1.4487 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8489 1.6849 2.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 -0.4818 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9881 0.5059 3.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2425 -1.1857 1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6344 0.6157 0.1605 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 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 2 0 5 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 3 1 0 18 7 1 0 26 19 1 0 16 9 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 1 5 37 1 6 8 38 1 0 11 39 1 0 12 40 1 0 14 41 1 0 15 42 1 0 20 43 1 0 21 44 1 0 23 45 1 0 25 46 1 0 26 47 1 0 27 48 1 6 28 49 1 0 29 50 1 1 30 51 1 0 31 52 1 1 32 53 1 0 M CHG 1 17 1 M END