HMDB0035159 RDKit 3D Paullinic acid 60 59 0 0 0 0 0 0 0 0999 V2000 -8.0341 3.2696 -0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4306 2.2370 0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4142 1.4412 -0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7578 0.3827 0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7667 -0.3442 -0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0308 -1.4456 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2739 -0.9536 1.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -1.0677 1.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1294 -1.7390 0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0601 -0.8452 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9078 -0.2927 0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6825 -1.2744 1.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 -2.2749 1.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7076 -1.9286 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3436 -1.1976 -1.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 -0.9373 -1.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6075 -0.1050 -1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0744 1.2292 -0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0893 2.0063 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3359 2.3161 -0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6301 2.0305 -1.7771 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3102 3.0123 0.1328 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1394 3.2859 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7636 3.0464 -1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6237 4.2887 -0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2294 1.5594 0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9634 2.7487 1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6600 2.1097 -0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9667 0.9705 -1.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5585 -0.2907 0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2835 0.8754 1.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3778 -0.8573 -1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 0.3512 -1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5259 -2.0345 -0.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8774 -2.1188 0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8611 -0.4320 2.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -0.6495 2.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 -2.1667 -0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5998 -2.6245 0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4036 -1.4159 -0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5871 0.0107 -0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1909 0.1817 1.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 0.6012 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2994 -0.6699 2.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9443 -1.7966 2.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9578 -3.0471 0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9728 -2.9230 1.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 -1.3370 0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2084 -2.8890 -0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6319 -1.8035 -1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8879 -0.2430 -0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0807 -1.9096 -2.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3491 -0.4625 -2.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 0.0848 -1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0512 -0.6918 -0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1614 1.1606 -0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7283 1.7729 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6693 2.9922 0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3456 1.4114 1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1064 2.5108 0.5490 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 7 8 2 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 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 0 15 51 1 0 16 52 1 0 16 53 1 0 17 54 1 0 17 55 1 0 18 56 1 0 18 57 1 0 19 58 1 0 19 59 1 0 22 60 1 0 M END