HMDB0029949 RDKit 3D Pangamic acid 70 69 0 0 0 0 0 0 0 0999 V2000 -2.3693 -1.9271 2.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 -1.2969 1.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3021 -2.2834 1.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0829 -0.8981 0.3461 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7419 -1.9077 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9647 -2.9996 -1.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7198 -1.3912 -1.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7569 0.3241 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3752 0.4720 -0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2244 1.5516 -0.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 -0.5022 -1.4507 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -0.5042 -1.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6888 -0.3701 -0.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 0.7936 -0.2308 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0522 -0.6187 -1.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 0.3770 -2.4663 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 -1.0066 -0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5519 -2.0195 0.2145 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5482 0.0995 0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 1.1546 -0.4281 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6337 -0.4601 1.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7685 0.0727 1.1157 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3986 -1.5512 1.9946 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4576 1.4997 -0.0424 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8452 2.3198 -1.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8424 3.0196 -1.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0068 3.2122 -0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 2.1128 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 2.5876 1.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3525 1.4786 2.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2985 -1.3553 2.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5701 -2.9955 2.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8063 -1.9849 3.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0039 -0.4055 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -2.0893 0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -2.3372 2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6435 -3.3442 1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4591 -2.4084 0.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3751 -3.2763 -2.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -3.9511 -0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8798 -2.9036 -1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2379 -0.4896 -1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4416 -2.2540 -1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2054 -1.3007 -2.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2636 0.0846 -1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7563 0.3596 -2.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7254 -1.4007 -2.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5408 -1.2343 -0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4168 0.6113 0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9037 -1.5415 -2.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2122 1.2789 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9746 -1.3803 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0999 -2.8286 0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7682 0.4625 1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4330 0.8394 -1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0291 -2.3304 2.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3095 1.5465 -1.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2883 2.3350 -2.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 3.6575 -1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4471 3.6888 -2.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6110 3.3495 -1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6238 2.6518 0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 4.2164 -0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 3.1132 1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 3.1332 2.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4007 1.8372 1.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7701 3.4169 1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9537 2.2283 2.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0322 0.7133 1.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7214 0.9487 3.0003 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 5 7 1 0 4 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 2 0 21 23 1 0 8 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 24 28 1 0 28 29 1 0 28 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 3 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 12 46 1 0 12 47 1 0 13 48 1 0 14 49 1 0 15 50 1 0 16 51 1 0 17 52 1 0 18 53 1 0 19 54 1 0 20 55 1 0 23 56 1 0 25 57 1 0 26 58 1 0 26 59 1 0 26 60 1 0 27 61 1 0 27 62 1 0 27 63 1 0 28 64 1 0 29 65 1 0 29 66 1 0 29 67 1 0 30 68 1 0 30 69 1 0 30 70 1 0 M END