HMDB0033486 RDKit 3D Pipermethystine 38 39 0 0 0 0 0 0 0 0999 V2000 5.3923 1.5365 -1.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0506 0.7153 -0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8568 0.6026 0.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8468 0.0463 -0.2195 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4981 -0.7325 0.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3855 -2.1623 0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2085 -2.7391 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 -1.9513 0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0963 -2.5182 0.6354 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0701 -0.5780 1.0444 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 0.2956 0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1747 1.5210 1.1605 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2966 -0.0555 0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2292 1.1429 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 0.7930 -0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8085 0.8401 -1.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0438 0.5051 -2.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0423 0.1079 -1.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7927 0.0536 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5602 0.3901 0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 -0.1310 1.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0702 2.5683 -1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5025 1.5548 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 1.1729 -2.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3887 -0.6578 1.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3087 -2.7680 0.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1606 -3.8048 0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7942 -0.9152 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1536 -0.3961 -0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4132 1.5127 1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7533 1.9636 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0098 1.1553 -2.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2719 0.5384 -3.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0280 -0.1640 -1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5908 -0.2615 0.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3678 0.3435 1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3203 0.9583 1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3091 -0.4822 2.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 10 21 1 0 21 5 1 0 20 15 1 0 1 22 1 0 1 23 1 0 1 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 13 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 16 32 1 0 17 33 1 0 18 34 1 0 19 35 1 0 20 36 1 0 21 37 1 0 21 38 1 0 M END