HMDB0039636 RDKit 3D Abscisic alcohol 11-glucoside 61 62 0 0 0 0 0 0 0 0999 V2000 -3.8774 -1.2781 -1.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7497 -0.7530 -0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0526 -0.9677 -0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8543 -0.4240 0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9084 -1.0030 0.7824 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4378 0.8414 1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0473 1.2585 0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2035 2.0091 -0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4946 2.2274 1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 0.0215 0.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 -0.7020 1.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7758 0.3161 0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9465 -0.6896 0.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4853 -0.5979 0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1889 0.6508 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -1.6756 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7446 -1.7191 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3641 -0.5555 0.1112 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7316 -0.7428 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3093 0.1199 0.9711 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6552 -0.1449 1.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3705 1.1579 1.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2518 2.0418 0.3509 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2770 -0.9474 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6522 -0.6161 0.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7553 -0.6227 -1.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3484 0.5353 -1.8074 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2567 -0.5001 -1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7488 -1.4773 -2.1863 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 -0.6096 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4861 -2.2928 -1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4645 -1.3520 -2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5452 -1.5253 -1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4035 0.6353 2.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1877 1.6343 0.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3859 2.7122 -0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1428 2.5938 -0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3516 1.2969 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 2.9466 1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3299 2.8046 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0196 1.6579 2.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6285 -0.3821 2.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4255 1.2810 0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3647 -1.6768 0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8403 0.9730 0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7319 0.6100 -0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.4845 -0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2914 -2.5917 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1791 -2.0930 1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9769 -2.5542 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9526 -1.7971 0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -0.7390 2.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4814 0.9967 1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0468 1.6221 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3741 2.9657 0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2263 -2.0113 0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1440 -1.1257 -0.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0692 -1.4669 -1.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 0.8787 -2.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 0.5226 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4163 -1.1615 -3.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 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 10 2 1 0 28 19 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 6 34 1 0 6 35 1 0 8 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 9 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 15 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 19 51 1 0 21 52 1 0 22 53 1 0 22 54 1 0 23 55 1 0 24 56 1 0 25 57 1 0 26 58 1 0 27 59 1 0 28 60 1 0 29 61 1 0 M END