HMDB0037977 RDKit 3D Cyanidin 3-galactoside 53 56 0 0 0 0 0 0 0 0999 V2000 4.9037 3.3520 0.4213 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5136 3.2890 0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0171 2.0805 -0.0964 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6587 1.8836 0.0503 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3767 0.5873 -0.4510 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0750 0.2299 -0.1875 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -0.7583 0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -1.6789 1.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2221 -2.6962 1.8617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5885 -3.6043 2.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9422 -3.5051 2.3967 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0256 -4.6316 3.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -4.7429 3.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9906 -5.7722 4.0357 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2001 -3.8281 2.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6016 -2.7927 1.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3539 -1.9163 1.3464 O 0 0 0 0 0 3 0 0 0 0 0 0 -1.8456 -0.8952 0.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7772 0.0086 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1538 -0.2123 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 0.6127 -0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7351 1.6936 -1.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7094 2.5051 -1.6961 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 1.9341 -1.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0367 3.0281 -2.1085 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4564 1.0838 -0.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 0.6307 -1.9835 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4521 -0.7182 -2.3923 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7915 1.2228 -2.4366 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6001 1.7407 -3.7277 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2778 2.3537 -1.5640 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7055 3.5672 -1.9073 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3773 2.7032 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0993 4.2226 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3961 3.1916 1.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5674 1.1656 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1699 -0.0479 -0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4127 -1.5601 1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5411 -2.8826 1.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -5.3482 3.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2427 -6.6613 3.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2999 -3.8703 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4416 -1.0665 0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1659 0.4112 -0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4779 3.3088 -2.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0739 3.2710 -2.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4346 1.3474 -0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6019 1.1630 -2.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 -1.0246 -2.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5631 0.4238 -2.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6763 1.0299 -4.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3758 2.4329 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 3.7396 -2.8603 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 1 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 6 30 51 1 0 31 52 1 1 32 53 1 0 M CHG 1 17 1 M END