HMDB0034526 RDKit 3D Bassic acid 81 85 0 0 0 0 0 0 0 0999 V2000 4.7359 1.7791 1.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1190 1.3491 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9707 2.4258 -0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 0.0357 -0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0491 -1.1146 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6459 -1.1528 -0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 -1.6591 -1.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4441 -1.0773 -2.7394 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4275 -2.9044 -1.8606 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8082 -2.0959 0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5422 -1.5003 1.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7057 -0.8909 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3993 -1.9747 -1.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5707 0.1495 -0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0177 0.9889 -1.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4531 0.8133 -1.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1487 0.7568 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6121 0.8606 -0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0356 2.2919 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2537 0.6407 -1.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4262 -0.3411 -1.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9593 -1.5696 -1.3324 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4273 0.2513 -0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5857 -0.5566 -0.9093 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8397 0.1595 0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2124 1.2660 1.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4858 -1.0874 1.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8748 -0.8143 1.1946 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3415 -0.0324 0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8097 -1.0090 1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3735 -1.3211 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5599 -0.2364 0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0085 0.5037 1.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 0.1843 -0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 1.2058 -0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5053 2.4917 1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7225 0.9294 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7853 2.3680 1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8912 2.5031 -0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4316 3.3944 -0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2435 2.2151 -1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7054 0.1586 0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3492 -0.1010 -1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0205 -1.2323 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5498 -2.0602 -0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2705 -3.6577 -1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6049 -3.0075 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3945 -2.4137 1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8195 -0.7681 1.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -2.3380 1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7069 -3.0030 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6544 -2.1078 -1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9433 -1.8053 -1.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 1.7493 -1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7532 1.7884 -2.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6097 -0.0381 -2.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 1.7706 -0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8754 2.6632 -0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1562 2.9154 -0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 2.4628 0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5999 0.2374 -2.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7019 1.5670 -2.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8175 -0.4231 -2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0713 -1.7675 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7168 1.2551 -1.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3085 -0.0869 -1.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1916 1.0202 2.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4835 1.2442 2.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3836 2.2467 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2277 -1.1335 2.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2516 -2.0083 0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3085 -1.7032 1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4454 -1.6308 1.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0553 -1.5609 2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2496 -2.3142 0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8589 1.1127 1.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0579 -0.1546 2.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 1.2357 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0638 0.5056 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1003 0.9371 -2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3554 2.2201 -0.9686 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 2 0 7 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 25 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 14 34 1 0 34 35 1 0 35 2 1 0 34 6 1 0 32 12 1 0 32 17 1 0 29 18 1 0 1 36 1 0 1 37 1 0 1 38 1 0 3 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 13 51 1 0 13 52 1 0 13 53 1 0 15 54 1 0 16 55 1 0 16 56 1 0 17 57 1 0 19 58 1 0 19 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 21 63 1 0 22 64 1 0 23 65 1 0 24 66 1 0 26 67 1 0 26 68 1 0 26 69 1 0 27 70 1 0 27 71 1 0 28 72 1 0 30 73 1 0 31 74 1 0 31 75 1 0 33 76 1 0 33 77 1 0 33 78 1 0 34 79 1 0 35 80 1 0 35 81 1 0 M END