HMDB0255515 RDKit 3D Neoamygdalin 59 61 0 0 0 0 0 0 0 0999 V2000 2.5025 2.8403 1.7775 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8616 2.2179 0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3176 1.3988 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5029 0.2754 -0.3967 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1576 -0.9158 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4845 -1.4745 0.9702 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2355 -1.9647 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2343 -0.9993 1.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0758 -1.3514 1.0134 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9926 -0.4601 1.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6401 0.3188 0.7555 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9741 0.3652 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3675 1.8510 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9011 2.4559 1.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7881 -0.1302 1.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0669 -0.4367 1.3366 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2114 -1.4059 2.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3878 -2.4626 1.5064 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7678 -1.1622 2.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 -0.5442 3.9271 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9622 -2.1509 -0.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1152 -3.0177 -0.9467 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1761 -2.7139 -1.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 -3.9504 -0.8992 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2786 -1.7164 -1.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 -0.8700 -2.4285 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3653 2.1972 -1.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 2.7196 -2.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5194 3.4777 -3.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3152 3.7448 -3.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1726 3.2299 -3.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 2.4751 -2.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3297 1.0702 0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1772 -0.6322 0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1199 -2.9409 1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3797 0.0056 0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4389 -0.8824 2.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2845 0.2537 2.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3816 -0.1163 -0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4582 1.9741 0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 2.3239 -0.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2880 3.3626 1.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9075 0.6399 2.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7595 -0.3384 2.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7396 -1.5952 3.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0141 -3.1070 1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2952 -2.1884 2.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9176 -1.1511 4.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7673 -1.1484 -1.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8388 -2.5422 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 -2.9065 -2.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7261 -4.5774 -0.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2661 -2.2332 -1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4247 -1.3585 -3.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4441 2.5182 -1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4303 3.8739 -3.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2643 4.3277 -4.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2193 3.4287 -3.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 2.0984 -1.8066 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 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 7 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 3 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 25 5 1 0 32 27 1 0 19 10 1 0 3 33 1 0 5 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 10 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 15 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 21 49 1 0 22 50 1 0 23 51 1 0 24 52 1 0 25 53 1 0 26 54 1 0 28 55 1 0 29 56 1 0 30 57 1 0 31 58 1 0 32 59 1 0 M END