HMDB0002195 RDKit 3D Varanic acid 75 78 0 0 0 0 0 0 0 0999 V2000 3.6241 -2.1594 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8739 -0.8651 0.0372 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5303 0.2249 0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7693 0.8294 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0155 0.0521 0.0439 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0048 -0.9834 -0.8602 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1721 0.9678 -0.4224 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9037 1.4071 -1.7214 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3199 2.1174 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5655 1.8920 1.7066 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1855 3.4110 -0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4811 -1.1786 0.4138 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2477 -1.9147 1.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -1.7081 2.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7146 -1.0362 0.7759 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0081 -0.3688 0.7590 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1010 -1.3134 1.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4533 -0.6801 0.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3918 0.6179 0.2415 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7717 1.0683 -0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4880 0.1995 -1.0789 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1906 -0.8277 -0.4062 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6627 -0.3353 -2.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2465 -0.6543 -1.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5805 0.4407 -1.0268 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6199 1.6961 -1.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1963 0.0371 -0.7157 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1759 1.1451 -0.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2162 0.6643 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4759 -0.0855 0.5070 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5589 0.7719 1.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8822 -3.0151 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3789 -2.2860 0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9035 -2.4355 -1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7834 -0.5109 -1.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7286 0.0100 1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7704 1.1022 0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0855 1.7159 0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5626 1.4398 -0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 -0.3244 1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5913 -1.7080 -0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0807 0.3424 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2136 0.7058 -2.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8744 3.8643 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0908 -1.8721 -0.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8788 -1.5809 2.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4592 -2.9944 1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -2.7374 2.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4011 -1.1898 2.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 -1.7771 -0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1325 0.5538 1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0201 -2.3078 0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -1.4706 2.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0874 -1.3978 0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9726 -0.4681 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9329 1.4102 0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3692 1.0612 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8084 2.1358 -0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3061 0.8255 -1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3266 -0.4855 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1379 -1.2878 -2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6654 0.3450 -3.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6718 -0.7130 -2.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1148 -1.6531 -1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6664 1.9456 -2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1342 1.4334 -2.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0946 2.5434 -1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8565 -0.8115 -1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4319 2.0376 -0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 1.4628 -2.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5536 0.0923 -1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8808 1.5782 -0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3119 0.3730 2.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 1.8633 1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3937 0.7531 2.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 6 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 1 30 12 1 0 30 15 1 0 27 16 1 0 25 19 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 6 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 1 6 41 1 0 7 42 1 6 8 43 1 0 11 44 1 0 12 45 1 6 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 6 16 51 1 1 17 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 1 20 57 1 0 20 58 1 0 21 59 1 6 22 60 1 0 23 61 1 0 23 62 1 0 24 63 1 0 24 64 1 0 26 65 1 0 26 66 1 0 26 67 1 0 27 68 1 6 28 69 1 0 28 70 1 0 29 71 1 0 29 72 1 0 31 73 1 0 31 74 1 0 31 75 1 0 M END