HMDB0301659 RDKit 3D Pelargonidin 3-(6''-succinyl-glucoside) 63 66 0 0 0 0 0 0 0 0999 V2000 9.2953 -0.4395 -1.1813 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2111 0.1635 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3847 0.5612 0.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9121 0.4457 0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7734 -0.0838 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 0.2040 0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4109 0.8190 1.4155 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3284 -0.2210 -0.3675 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0537 0.0299 0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 -0.5117 -0.6900 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7553 -0.2179 -0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 -0.2734 -0.8934 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4500 0.1007 -0.1213 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6165 -0.5187 0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8853 -1.7919 -0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0638 -2.4168 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 -3.6819 -0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4871 -4.3490 -1.4216 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5830 -4.2946 -0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4678 -3.6326 0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6667 -4.2735 0.8039 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1493 -2.3910 1.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9415 -1.7424 0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6751 -0.5720 1.2074 O 0 0 0 0 0 3 0 0 0 0 0 0 -3.5353 0.0970 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 1.4000 1.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 2.1961 1.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 3.4469 2.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 3.9207 2.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0537 5.1688 3.4108 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3172 3.1380 2.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4079 1.9068 2.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 0.7417 -2.0204 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6277 0.1617 -3.2337 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1603 1.2855 -2.1532 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3839 2.1898 -1.1014 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 0.1087 -2.0478 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7115 -0.7909 -3.0682 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9501 1.3195 0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8227 0.0015 1.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7974 1.5525 0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8085 0.4507 -1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8503 -1.1652 -0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 -0.4691 1.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 1.1113 0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 -1.5983 -0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4978 -1.2621 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1524 -2.2567 -1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5942 -4.0498 -1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7722 -5.2649 -0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4380 -4.0835 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8415 -1.8843 1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4602 1.9053 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2721 4.0071 1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6459 5.3221 4.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1108 3.5336 3.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 1.3039 2.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 1.6122 -1.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1803 0.7773 -3.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 1.7849 -3.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5874 2.7387 -0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1445 0.3934 -2.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1312 -1.6631 -2.9775 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 1 0 6 7 2 0 6 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 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 2 0 12 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 10 1 0 25 14 1 0 32 26 1 0 23 16 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 9 44 1 0 9 45 1 0 10 46 1 6 12 47 1 6 15 48 1 0 18 49 1 0 19 50 1 0 21 51 1 0 22 52 1 0 27 53 1 0 28 54 1 0 30 55 1 0 31 56 1 0 32 57 1 0 33 58 1 1 34 59 1 0 35 60 1 6 36 61 1 0 37 62 1 6 38 63 1 0 M CHG 1 24 1 M END