HMDB0038093 RDKit 3D Petunidin 3-galactoside 57 60 0 0 0 0 0 0 0 0999 V2000 6.7188 -2.4449 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 -2.4525 -0.1544 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1446 -2.3499 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4387 -1.1505 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 -1.0400 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 0.2871 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2882 1.3157 -0.0158 O 0 0 0 0 0 3 0 0 0 0 0 0 1.9596 2.5610 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9561 3.5252 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6396 4.8600 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6294 5.8524 -0.1098 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3089 5.1866 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2869 4.2264 0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0112 4.6364 0.1571 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6232 2.8889 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2921 1.8742 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 0.5378 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8055 -0.4419 0.1662 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1884 -0.3944 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6797 -1.1135 -0.8488 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9964 -0.8664 -1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1915 0.3080 -2.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7062 1.4896 -1.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7861 -0.7294 0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0872 -1.1883 -0.0377 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1336 -1.5806 1.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8661 -1.3713 2.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7239 -1.0928 1.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7712 -0.1791 2.5403 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3311 -2.1889 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9834 -3.4180 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1902 -4.5755 0.0374 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 -3.5111 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 -4.7524 -0.0938 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1826 -1.7796 0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1756 -1.9824 -1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2841 -3.4241 -0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0845 -0.2594 -0.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9844 3.2178 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8952 6.1675 -1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0537 6.2380 0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7944 4.0288 0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 2.1510 0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5499 0.6289 0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3812 -1.7664 -1.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2469 0.4186 -2.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6307 0.0502 -3.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0757 2.2458 -2.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7947 0.3226 0.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1555 -2.1663 0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1665 -2.6475 0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -0.4104 2.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0821 -1.9604 1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1187 0.6918 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2647 -2.2269 0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6781 -5.4567 0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -4.7892 -0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 5 30 2 0 30 31 1 0 31 32 1 0 31 33 2 0 33 34 1 0 33 3 1 0 17 6 1 0 28 19 1 0 15 8 1 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 9 39 1 0 11 40 1 0 12 41 1 0 14 42 1 0 16 43 1 0 19 44 1 0 21 45 1 0 22 46 1 0 22 47 1 0 23 48 1 0 24 49 1 0 25 50 1 0 26 51 1 0 27 52 1 0 28 53 1 0 29 54 1 0 30 55 1 0 32 56 1 0 34 57 1 0 M CHG 1 7 1 M END