HMDB0034934 RDKit 3D Prunasin 38 39 0 0 0 0 0 0 0 0999 V2000 -2.1038 -1.7157 3.0466 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8935 -1.3366 1.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6137 -0.8458 0.6368 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6350 0.1433 0.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5295 -0.1962 0.0654 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6182 -0.3131 0.9476 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7249 -0.6133 0.1536 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7983 -1.3330 0.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2378 -0.5590 1.9854 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2344 0.6750 -0.4260 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0195 0.4848 -1.5582 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0613 1.5729 -0.7000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8099 2.3353 0.4399 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7953 0.8101 -1.0120 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8306 0.2143 -2.2722 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8357 -0.3453 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4724 -1.1057 -1.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6111 -0.6287 -1.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1198 0.6075 -1.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4804 1.3631 -0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3341 0.8782 0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1573 -1.6841 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4224 -1.2242 -0.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3663 -1.3213 -0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6332 -1.5352 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4122 -2.3145 1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5659 -1.1133 2.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8874 1.1490 0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7335 -0.2663 -2.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2863 2.2993 -1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 2.1353 0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0215 1.5796 -1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2502 0.7686 -2.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0387 -2.0759 -1.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0925 -1.2459 -2.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0084 0.9448 -1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8986 2.3341 -0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8416 1.4777 1.0228 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 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 3 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 14 5 1 0 21 16 1 0 3 22 1 6 5 23 1 6 7 24 1 6 8 25 1 0 8 26 1 0 9 27 1 0 10 28 1 1 11 29 1 0 12 30 1 6 13 31 1 0 14 32 1 6 15 33 1 0 17 34 1 0 18 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 M END