HMDB0000560 RDKit 3D Goshuyic acid 40 39 0 0 0 0 0 0 0 0999 V2000 -6.6312 -0.2987 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4518 0.6460 -0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3662 0.1972 0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1643 1.0982 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0263 0.6895 1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6044 -0.6797 0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4161 -1.0352 0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -0.0777 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8529 -0.3272 1.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 -0.6262 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2924 -0.7365 -0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3368 0.2440 -1.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6867 0.1195 -0.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 0.3608 0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2988 1.3750 1.1718 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5649 -0.4827 1.4381 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3928 -0.1210 -1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0508 -0.0595 0.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2523 -1.3445 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7992 1.6891 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0736 0.6010 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7278 0.3258 1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1441 -0.8604 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4896 2.1290 0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7602 1.0659 -0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5311 0.7046 2.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3111 1.4900 1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3641 -1.4648 0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2106 -2.1180 0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3796 0.9971 0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -0.1213 -0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7312 -0.2583 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8447 -0.8323 1.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4626 -0.6512 -1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7878 -1.7654 -1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 1.3098 -1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4253 0.2415 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1578 -0.8765 -1.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3713 0.8781 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1748 -1.4253 1.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 16 40 1 0 M END