HMDB0039697 RDKit 3D Isophysalin B 67 74 0 0 0 0 0 0 0 0999 V2000 3.7334 -0.7942 1.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2537 0.1076 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 1.3752 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4679 2.4322 0.4177 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4839 1.3177 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 0.2187 -0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0797 -0.6393 -1.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6454 -0.5142 -1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8298 -0.9507 -2.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3911 -0.8401 -1.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1174 -0.8905 -0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7366 0.3407 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4555 0.5977 1.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2318 1.2863 2.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7212 1.7612 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2183 2.6117 0.0818 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7691 2.5743 1.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6994 3.0518 2.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8326 2.6738 0.8678 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7439 1.6201 -0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3255 2.2383 -1.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 0.9402 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3624 -0.1113 0.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2276 -1.1028 0.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5613 -2.2048 1.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1455 -1.7171 -0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 -2.5877 -0.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8037 -1.9349 -1.2091 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3646 -0.9973 -0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9131 0.2131 -0.6727 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5995 0.7484 0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -0.3965 1.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 -1.3281 1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4829 -2.1321 1.8396 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3091 -0.7877 -1.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 -1.0644 -2.8201 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0827 0.3450 -1.5401 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7018 -1.2717 0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -0.1858 2.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -1.6134 1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9497 1.2239 1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9073 2.2628 -0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9887 0.1314 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4995 -1.4103 -2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -1.3915 -2.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7974 -1.6198 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0328 0.1506 -2.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 -1.7927 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5382 1.1783 -0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3384 1.1934 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5998 -0.3887 2.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4489 2.1701 2.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3316 0.6062 2.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 3.2601 0.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1531 2.1445 -2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0184 3.3000 -1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 1.7125 -1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8506 1.7012 -0.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4059 0.3213 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3295 -0.5660 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0376 -2.0254 2.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6455 -2.2108 1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2563 -3.1927 1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0418 -2.4119 -0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7927 -3.3160 -0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2262 -3.2434 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1448 -0.1766 2.3016 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 1 0 6 7 2 0 7 8 1 0 8 9 2 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 15 16 1 0 15 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 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 2 0 26 35 1 0 35 36 2 0 35 37 1 0 8 2 1 0 29 11 1 0 12 2 1 0 31 15 1 0 31 20 1 0 37 22 1 0 32 24 1 0 33 29 1 0 1 38 1 0 1 39 1 0 1 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 12 49 1 0 13 50 1 0 13 51 1 0 14 52 1 0 14 53 1 0 16 54 1 0 21 55 1 0 21 56 1 0 21 57 1 0 22 58 1 0 23 59 1 0 23 60 1 0 25 61 1 0 25 62 1 0 25 63 1 0 26 64 1 0 27 65 1 0 27 66 1 0 32 67 1 0 M END