HMDB0255116 RDKit 3D N-Desisopropyl Pentisomide 47 47 0 0 0 0 0 0 0 0999 V2000 -0.7759 2.3830 2.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 1.7191 0.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9153 2.7296 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9942 0.3968 0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9658 -0.6190 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2098 -1.2655 -0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2983 -0.5907 -1.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0106 0.3527 -0.5273 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0779 1.0201 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 1.9874 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1784 0.0677 -1.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8438 -0.1087 -1.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3041 0.4731 -2.3572 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0777 -0.2373 -1.0928 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -1.7346 0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4559 -2.9916 0.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3385 -3.9552 1.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6275 -3.5817 1.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0257 -2.2977 1.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1535 -1.4153 0.7486 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 3.3936 2.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2078 1.7687 3.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8526 2.2988 2.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7127 1.7791 0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1674 3.6614 0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 2.3626 -0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 2.9365 -0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1111 0.5756 1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6548 -0.1001 1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 -2.1500 -1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 -1.8082 0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 -0.1595 -2.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0902 -1.3496 -1.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4224 -0.0624 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7425 1.5772 -2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7639 2.2046 -0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1187 2.8992 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7247 1.4597 0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4237 -0.6531 -0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1047 0.6999 -1.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9589 -0.4395 -2.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1971 -0.1068 -3.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9773 1.4442 -2.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4346 -3.2742 0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9356 -4.9358 1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3374 -4.3091 1.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0522 -2.0447 1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 9 11 1 0 5 12 1 0 12 13 1 0 12 14 2 0 5 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 11 41 1 0 13 42 1 0 13 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 M END