HMDB0039698 RDKit 3D Isophysalin G 68 75 0 0 0 0 0 0 0 0999 V2000 3.1677 -0.9306 -2.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0446 -0.4715 -0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8653 -1.4339 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6046 -2.6149 -0.1287 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 -1.0335 0.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8345 0.0509 0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6831 0.6063 1.1383 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 1.0887 -0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7089 0.8655 -0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9091 1.9771 -1.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 2.0050 -1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0544 0.9338 -0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5963 -0.4294 -0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4838 -1.3521 0.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3152 -1.1193 1.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9107 -1.6190 1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5507 -2.6269 0.1545 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9174 -2.2354 1.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8455 -2.6837 3.1312 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0972 -2.2508 1.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9135 -1.5448 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6034 -2.4862 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1886 -0.8405 -0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5357 0.2913 0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3767 1.2540 0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7449 2.3865 1.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1942 1.8139 -0.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9674 2.6401 -1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 1.9602 -1.3227 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4459 1.0153 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0337 -0.1704 -0.7247 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7635 -0.6457 0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1879 0.5498 1.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 1.4721 0.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6282 2.3837 1.5708 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3719 0.7964 -1.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8232 0.9985 -2.9896 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1093 -0.3305 -1.6803 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8788 -1.9889 -2.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2354 -0.7515 -2.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -0.2366 -2.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6437 -0.6374 1.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -1.8913 1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4065 -0.4116 -0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4285 0.2769 2.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3348 2.1058 -0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3963 2.7454 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0379 2.8341 -1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3263 1.1669 0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 -0.8832 -1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 -2.3870 0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -1.3592 1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5295 -1.8004 2.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3395 -0.1272 2.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3944 -3.4476 0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4663 -3.5456 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7539 -2.1363 -1.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4663 -2.5617 -1.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0085 -1.5788 -0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7415 -0.0459 1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4210 0.8037 0.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4523 3.0980 1.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8819 2.9697 1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 1.9894 2.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0675 2.5246 -0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1732 3.3167 -1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8836 3.3323 -0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3529 0.3568 2.1813 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 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 9 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 5 43 1 0 6 44 1 0 7 45 1 0 8 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