HMDB0003173 RDKit 3D Petunidin 36 38 0 0 0 0 0 0 0 0999 V2000 -4.8264 1.3660 -0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8310 0.0681 -0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6257 -0.5547 0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4142 0.0979 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1996 -0.4594 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0986 0.1278 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 -0.5638 0.2978 O 0 0 0 0 0 3 0 0 0 0 0 0 2.4028 -0.1314 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5052 -0.8927 0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 -0.4523 0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8567 -1.2753 0.6825 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0498 0.7802 -0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9804 1.5631 -0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2205 2.8004 -1.1615 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 1.1196 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5764 1.8522 -0.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 1.3662 -0.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7634 2.1777 -0.9549 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2408 -1.7373 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4144 -2.3981 1.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4491 -3.6648 1.6306 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6303 -1.8108 0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8218 -2.4847 1.0695 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8779 1.6861 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3385 1.3502 -1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3603 2.1221 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4862 1.0760 -0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3497 -1.8667 0.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2354 -1.9260 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0734 1.1199 -0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5778 3.4845 -1.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7145 2.8296 -1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5957 3.0783 -1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3204 -2.2459 1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -4.1971 1.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7747 -3.4051 1.4813 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 5 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 22 3 1 0 17 6 1 0 15 8 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 14 31 1 0 16 32 1 0 18 33 1 0 19 34 1 0 21 35 1 0 23 36 1 0 M CHG 1 7 1 M END