HMDB0039964 RDKit 3D beta-D-Glucopyranosyl-11-hydroxyjasmonic acid 55 56 0 0 0 0 0 0 0 0999 V2000 0.3863 -0.7167 1.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8281 -0.8897 0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2706 -0.4536 -0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5239 -0.9079 -0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 -0.4812 -1.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7229 0.1990 -0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 1.4302 0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 1.8292 0.6027 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5901 2.0920 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3456 1.9715 -0.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 0.7065 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9087 -0.3193 -1.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5310 -0.7382 -0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3372 -1.8481 0.3556 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3882 0.1638 0.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9429 -0.1215 0.2994 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 -0.9632 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9201 -0.8067 1.0483 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2193 -0.6371 0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8663 0.0273 1.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2214 0.2440 1.8079 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5801 0.1833 -0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 1.3820 -0.0674 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3969 0.5281 -1.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.5511 -0.6747 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5155 -0.6919 -1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 -0.3460 -2.1395 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 0.2372 2.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 -0.8019 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2924 -1.5277 2.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0611 -1.9748 0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0711 0.2457 -1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 -1.6082 0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0867 -1.4095 -1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2147 0.1378 -1.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1274 -0.5610 0.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4356 3.1672 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0749 1.5574 1.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0029 2.8670 -1.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4259 2.0376 -0.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3728 0.9725 -2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6338 0.0452 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4615 -1.2394 -1.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1341 -0.2448 1.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 -2.0450 0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 -1.6463 0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2976 0.9874 2.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7103 -0.5844 2.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5470 0.6846 2.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2988 -0.3766 -1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8986 1.6027 -0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7317 0.7761 -2.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 1.7817 0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0255 -1.5572 -1.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2981 0.6377 -2.1495 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 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 2 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 11 6 1 0 26 17 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 3 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 15 44 1 0 17 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 21 49 1 0 22 50 1 0 23 51 1 0 24 52 1 0 25 53 1 0 26 54 1 0 27 55 1 0 M END