HMDB0034421 RDKit 3D delta3,5-Deoxyneotigogenin 69 74 0 0 0 0 0 0 0 0999 V2000 7.1238 0.4705 0.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0563 0.1403 -0.4525 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6077 -1.2962 -0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 -1.4508 -0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2728 -0.4905 -0.1871 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0184 0.3237 0.6877 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8795 1.0599 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6232 0.3853 -1.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 0.9856 -0.2149 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5794 1.6596 -0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4794 0.6221 -1.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8496 1.1321 -0.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8731 1.8508 0.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9215 1.3809 1.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0191 0.7573 1.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0094 0.3237 2.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1839 -0.1416 1.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4925 -0.2215 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2753 -0.5287 -0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 0.5106 -0.3933 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6716 1.7983 -0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8726 0.0460 -0.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5043 -1.2252 -0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1396 -1.2652 0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0764 -0.6206 -0.4755 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4108 -1.6407 -1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 -0.1856 0.4499 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1484 -1.1858 0.5444 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6164 -1.3391 1.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 0.1555 1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1196 0.1015 0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1914 1.5972 0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 0.3076 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2955 -2.0048 -0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 -1.5328 0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8825 -2.4977 -0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1467 -1.4329 -1.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3826 1.2585 -1.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1892 2.0007 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1615 1.6385 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0245 2.0344 -1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2002 2.5811 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5284 0.4409 -2.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1046 1.8954 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8944 1.7827 1.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0324 2.9638 0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7961 1.5553 2.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8037 0.3732 3.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9196 -0.4634 2.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9400 0.7243 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2568 -1.0165 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6103 -0.3960 -1.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9298 -1.5569 -0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5143 2.1714 -0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9342 2.5966 -1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1512 1.5748 -1.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -0.1482 -2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6041 -2.0982 -0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 -1.4757 0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8556 -2.3539 0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0894 -0.8663 1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3833 -2.6745 -1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 -1.3625 -1.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3563 -1.6236 -2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6805 0.0189 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9131 -2.1774 0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2782 -2.1961 2.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1324 -0.3786 2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7207 -1.3716 2.6786 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 1 6 7 1 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 6 20 22 1 0 22 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 7 2 1 0 27 9 1 0 28 5 1 0 25 11 1 0 22 12 1 0 20 15 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 6 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 7 38 1 0 7 39 1 0 9 40 1 1 10 41 1 0 10 42 1 0 11 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 16 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 19 52 1 0 19 53 1 0 21 54 1 0 21 55 1 0 21 56 1 0 22 57 1 0 23 58 1 0 23 59 1 0 24 60 1 0 24 61 1 0 26 62 1 0 26 63 1 0 26 64 1 0 27 65 1 1 28 66 1 6 29 67 1 0 29 68 1 0 29 69 1 0 M END