HMDB0032680 RDKit 3D Neoporrigenin B 74 79 0 0 0 0 0 0 0 0999 V2000 7.1868 -1.5431 0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8355 -0.8949 0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5975 0.0510 1.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3043 0.7465 1.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2861 -0.1215 0.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5045 -1.4569 0.9378 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7472 -1.9216 0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0539 0.1634 1.4413 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6624 1.3730 0.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1514 1.5867 1.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2999 1.7283 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7385 1.5539 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5386 2.1375 0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2482 1.1232 1.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0657 1.8487 2.2476 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1979 0.3761 0.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8802 -0.6755 1.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9467 -1.3728 0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6148 -2.3028 1.2356 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -1.9854 -0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8289 -2.6714 -1.4644 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7566 -1.6816 -0.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -0.1642 -0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3708 0.3302 -1.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1491 0.1752 -1.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2279 -0.9062 -0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2082 -0.6835 -0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 0.7136 -1.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4891 1.0817 -2.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9035 1.1655 -0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 0.3255 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1093 -0.7936 -1.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8633 -0.8505 1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1128 -2.4799 1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7110 -1.7576 -0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 -0.3375 -0.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5322 -0.5948 2.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3992 0.7930 1.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5316 1.6041 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9247 1.2028 2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0255 -2.6553 1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8328 -2.5194 -0.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2473 2.2045 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0475 2.4991 1.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2304 0.7456 1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 2.7281 -0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9688 2.2205 -1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3315 2.8614 0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9142 2.7577 1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 0.4871 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5588 2.0031 3.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0164 1.1180 0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1806 -1.3830 1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4148 -0.0925 2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6654 -0.5932 0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2655 -1.7939 1.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2839 -2.1600 0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4307 -2.0576 -1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4994 -0.4755 -2.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8031 1.1397 -2.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3792 0.6723 -1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 0.0660 -2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 -1.0859 0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5656 -1.8520 -0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -1.1925 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -1.2838 -1.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3408 0.1768 -3.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3615 1.7454 -2.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3993 1.6185 -2.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0938 2.1966 -0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9808 0.9720 -0.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5668 -0.4461 -2.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1623 -0.9653 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7699 -1.7626 -1.2426 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 2 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 22 57 1 0 22 58 1 0 24 59 1 0 24 60 1 0 24 61 1 0 25 62 1 0 26 63 1 0 26 64 1 0 27 65 1 0 27 66 1 0 29 67 1 0 29 68 1 0 29 69 1 0 30 70 1 0 31 71 1 0 32 72 1 0 32 73 1 0 32 74 1 0 M END