HMDB0034515 RDKit 3D Glabrolide 78 83 0 0 0 0 0 0 0 0999 V2000 -5.3478 -0.4906 -2.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9651 -0.1782 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6362 -1.4460 -0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7933 -0.8495 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1164 -0.2935 0.6352 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0102 0.4307 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7008 1.4357 -0.8869 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8314 0.2705 1.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6784 1.2887 1.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9177 -0.3231 2.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6285 -0.8519 1.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8566 0.3420 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 1.5381 2.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6564 0.7339 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0345 0.9230 -1.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4057 0.7567 -1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8639 0.4443 -2.4922 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2145 0.9846 -0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 0.7639 -0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 1.5151 -1.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 1.4580 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 0.7439 0.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3693 -0.0382 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0369 0.7417 -1.0488 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 -1.0197 -0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6949 -2.3584 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9657 -1.2802 -2.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9887 -0.6725 -0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -1.6482 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7694 -1.3131 0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5806 0.0982 0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2247 0.1299 2.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1256 0.8991 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6497 0.5535 -1.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9651 -1.4575 -3.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9807 0.3554 -3.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4692 -0.4227 -2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4076 -2.2052 -0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6431 -1.8177 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8605 -1.6191 1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5607 0.7904 2.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0745 1.6776 2.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9855 2.0969 1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4161 -1.1801 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7146 0.4118 2.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7886 -1.5208 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1351 -1.4290 2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8979 2.1066 1.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1614 2.2593 1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8828 1.2599 3.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 1.2249 -2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0794 2.0393 0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8094 2.1751 -1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1144 0.8490 -2.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 2.2843 -1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 1.7970 1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8764 2.4594 0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4208 1.4980 1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5028 0.0385 1.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2395 -0.5688 0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9113 1.0398 -0.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 -2.5495 -0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1599 -3.1896 -0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6515 -2.2625 1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2071 -0.3221 -2.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1717 -1.8521 -2.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8543 -1.9532 -2.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6239 -0.8894 -1.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 -1.8738 1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2046 -2.6406 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2452 -1.3283 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3342 -2.0701 0.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1246 1.0988 2.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2191 -0.2965 2.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6066 -0.5642 2.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2681 2.0214 0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 1.4173 -2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9485 -0.1758 -1.9060 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 6 7 2 0 4 8 1 0 8 9 1 0 8 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 14 33 1 0 33 34 1 0 6 2 1 0 33 8 1 0 34 2 1 0 31 12 1 0 31 18 1 0 28 19 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 9 41 1 0 9 42 1 0 9 43 1 0 10 44 1 0 10 45 1 0 11 46 1 0 11 47 1 0 13 48 1 0 13 49 1 0 13 50 1 0 15 51 1 0 18 52 1 0 20 53 1 0 20 54 1 0 20 55 1 0 21 56 1 0 21 57 1 0 22 58 1 0 22 59 1 0 23 60 1 0 24 61 1 0 26 62 1 0 26 63 1 0 26 64 1 0 27 65 1 0 27 66 1 0 27 67 1 0 28 68 1 0 29 69 1 0 29 70 1 0 30 71 1 0 30 72 1 0 32 73 1 0 32 74 1 0 32 75 1 0 33 76 1 0 34 77 1 0 34 78 1 0 M END