HMDB0030526 RDKit 3D Isovestitol 36 38 0 0 0 0 0 0 0 0999 V2000 -3.4794 -2.7602 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4072 -1.8329 -0.1614 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5265 -0.4833 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 0.0327 0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0338 1.4100 0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3114 1.8908 0.3987 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8816 2.2232 0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6164 1.6678 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3855 0.3136 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0628 -0.3275 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6634 -0.0236 -1.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8789 -0.8642 -1.3478 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -0.4579 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1123 -0.6623 -0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0324 -0.2421 0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3762 -0.4553 0.1241 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5268 0.3837 1.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1746 0.5689 1.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2633 0.1369 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8088 0.2661 0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7179 -3.1834 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1936 -3.5698 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3472 -2.2679 -0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6816 -0.5675 0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8800 2.1251 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0734 3.2835 0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 2.3938 -0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -1.4080 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1062 -0.5458 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8557 0.9778 -1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5086 -1.1720 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9377 0.2590 -0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2579 0.7357 2.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8538 1.0842 2.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6078 -0.2818 1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5517 1.3526 1.0803 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 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 9 3 1 0 20 10 1 0 19 13 1 0 1 21 1 0 1 22 1 0 1 23 1 0 4 24 1 0 6 25 1 0 7 26 1 0 8 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 14 31 1 0 16 32 1 0 17 33 1 0 18 34 1 0 20 35 1 0 20 36 1 0 M END