HMDB0032783 RDKit 3D Porrigenin A 76 81 0 0 0 0 0 0 0 0999 V2000 7.5810 0.6769 -1.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3857 0.6375 -0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2688 1.5480 -0.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0879 1.3151 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6114 -0.0790 -0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5532 -0.8785 -0.8597 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8232 -0.7428 -0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4789 -0.0779 -1.0558 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0475 -1.3943 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6469 -1.6231 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -1.9257 -0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5598 -1.5563 -0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8589 -1.0450 -1.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3511 -1.1541 -1.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6327 -0.7051 -3.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1344 -0.3712 -0.9158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4763 0.9756 -1.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6138 1.5493 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0465 2.7764 -1.2711 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2691 1.5741 0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1036 0.8279 1.4674 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7909 1.2177 0.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5507 -0.2321 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4134 -1.0582 1.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1428 -0.5715 0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2012 0.6280 0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1936 0.2639 1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5719 -1.1519 0.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 -1.8537 2.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9556 -1.4935 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0945 -0.7412 1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9793 0.2100 2.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3077 0.3432 -2.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3295 -0.0198 -0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0274 1.6904 -1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7124 1.0683 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9399 1.1613 -1.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5681 2.5979 -0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4569 1.5323 1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2934 2.0225 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 -1.0342 0.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4793 -1.4545 -0.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7851 -2.1174 -1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 -0.7428 -1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6532 -2.4906 -2.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 -2.9962 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1897 -2.4926 -0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 0.0080 -1.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3942 -1.7207 -2.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6121 -2.2331 -1.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0748 0.1037 -3.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1456 -0.8738 -0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6101 1.6186 -1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9076 0.6798 -2.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4791 0.8459 -0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9462 2.9383 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3522 2.6384 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0969 1.2182 2.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6359 1.2877 1.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2277 1.9378 0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4849 -0.5876 2.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8593 -2.0155 1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3807 -1.3307 0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0215 -1.0406 1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6709 1.3203 1.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2617 1.2236 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3476 0.6109 2.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8677 0.8448 0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0946 -1.1531 3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -2.7343 2.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -2.3075 2.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0737 -2.6046 0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9315 -1.4571 1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0104 0.3782 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6511 1.2376 1.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4023 -0.2440 2.9953 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 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 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 7 2 1 0 30 9 1 0 31 5 1 0 28 11 1 0 25 12 1 0 23 16 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 7 41 1 0 7 42 1 0 9 43 1 0 10 44 1 0 10 45 1 0 11 46 1 0 12 47 1 0 13 48 1 0 13 49 1 0 14 50 1 0 15 51 1 0 16 52 1 0 17 53 1 0 17 54 1 0 18 55 1 0 19 56 1 0 20 57 1 0 21 58 1 0 22 59 1 0 22 60 1 0 24 61 1 0 24 62 1 0 24 63 1 0 25 64 1 0 26 65 1 0 26 66 1 0 27 67 1 0 27 68 1 0 29 69 1 0 29 70 1 0 29 71 1 0 30 72 1 0 31 73 1 0 32 74 1 0 32 75 1 0 32 76 1 0 M END