HMDB0031049 RDKit 3D Avocadyne 4-acetate 57 56 0 0 0 0 0 0 0 0999 V2000 8.2650 -0.8198 2.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5457 -0.8951 1.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6735 -0.9783 0.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 -1.6057 1.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4541 -1.7273 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1121 -0.4044 -0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -0.6777 -1.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7618 0.5844 -2.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0592 1.5626 -1.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8029 1.0357 -0.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1657 0.6439 -2.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 0.1081 -1.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1086 1.1208 -0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 0.6159 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1497 -0.5728 0.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3764 -1.1265 1.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9516 -2.2420 2.3922 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4188 -1.6153 0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4715 -2.1496 1.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9676 1.7028 0.7845 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1576 2.2250 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8301 3.3899 0.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7492 1.7699 -0.7084 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8929 -0.7386 3.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1703 -1.5648 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5592 0.0657 0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9104 -1.0639 2.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6449 -2.6122 1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5356 -2.2425 0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8704 -2.4501 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0647 0.0501 -0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5976 0.2142 0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6977 -1.3171 -2.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3045 -1.2252 -1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6569 1.0812 -2.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1215 0.3101 -3.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7282 2.0574 -0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7412 2.4131 -2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9658 0.1616 -0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 1.8791 -0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5022 1.5245 -2.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2494 -0.0709 -2.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 -0.2549 -2.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1799 -0.7984 -0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2649 2.0852 -1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4218 1.3878 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0361 0.3227 -0.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4023 -0.3512 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7191 -1.3964 0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7834 -0.3994 2.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6494 -2.9661 2.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7545 -0.8994 -0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 -2.4947 0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3021 -1.6392 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9182 4.2553 0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2951 3.6846 1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8409 3.0479 1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 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 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 14 20 1 0 20 21 1 0 21 22 1 0 21 23 2 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 17 51 1 0 18 52 1 0 18 53 1 0 19 54 1 0 22 55 1 0 22 56 1 0 22 57 1 0 M END