HMDB0039080 RDKit 3D Physalin N 68 75 0 0 0 0 0 0 0 0999 V2000 3.8612 -1.2172 -1.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3706 -0.3519 0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0026 -1.0093 1.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3504 -1.5975 2.2112 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -0.9012 1.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1209 0.0511 0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 1.0730 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 0.9796 0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2718 2.0656 0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 2.1216 0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 2.2464 1.6431 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2262 0.8528 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8854 -0.3747 0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2746 -1.5760 -0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2533 -2.2778 0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1276 -2.2036 -0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 -2.3686 -1.5685 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0241 -3.2183 0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7213 -4.4292 0.5444 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 -2.5322 0.7427 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8754 -1.1884 1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4711 -1.1680 2.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1156 -0.3430 0.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 0.0105 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2977 0.7587 -1.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7078 1.0882 -2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0718 2.0171 -0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7131 2.6442 -0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7363 2.0936 0.2645 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 0.8418 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7653 -0.0736 0.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7614 -0.8437 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1611 -0.1907 -1.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9163 0.5763 -1.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4959 0.9128 -2.5555 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 1.9357 1.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1397 2.9001 1.8693 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0055 0.8255 1.6958 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8835 -0.8388 -1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0304 -2.2362 -0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 -1.0975 -1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9647 -1.6437 2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1952 0.0781 0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7650 2.1084 0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7685 0.9575 -1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8424 3.0254 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4411 2.9725 -0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2279 3.2299 1.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4867 0.9272 -1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6251 -0.4409 1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -1.2602 -1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0253 -2.3070 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5684 -3.3387 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2984 -1.7622 1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0377 -3.3619 -1.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4015 -1.2884 3.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8438 -2.0665 2.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0098 -0.2265 2.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9591 -0.9799 1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7179 -0.8672 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3424 0.6655 -0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9201 0.1018 -2.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9053 1.5734 -3.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6643 1.6512 -2.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 2.7720 -0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8178 3.7162 -0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5017 2.7375 -1.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 -0.9303 -1.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 2 0 18 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 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 27 36 1 0 36 37 2 0 36 38 1 0 8 2 1 0 30 12 1 0 13 2 1 0 32 16 1 0 32 21 1 0 38 23 1 0 33 25 1 0 34 30 1 0 1 39 1 0 1 40 1 0 1 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 7 45 1 0 9 46 1 0 10 47 1 0 11 48 1 0 12 49 1 0 13 50 1 0 14 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 17 55 1 0 22 56 1 0 22 57 1 0 22 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 0 28 66 1 0 28 67 1 0 33 68 1 0 M END