HMDB0031927 RDKit 3D Glyurallin B 57 59 0 0 0 0 0 0 0 0999 V2000 6.3737 1.8460 -2.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1491 1.2937 -1.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3837 0.9181 -0.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9265 1.2157 -1.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5518 0.6999 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4808 -0.3224 0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1766 0.0898 0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1356 -0.8122 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2331 -0.4658 0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8026 0.6985 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0384 1.0348 0.5661 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8115 0.2816 1.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 0.6828 1.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6166 1.9442 1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9442 1.9536 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9142 1.0623 -1.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5129 -0.3423 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3509 1.5210 -2.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9692 -0.1052 2.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2660 0.3418 2.5664 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4857 -1.2805 2.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1804 -1.7093 2.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7996 -2.8726 3.1555 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3787 -0.9110 1.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0694 -1.2556 1.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6288 -2.3269 2.0168 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4045 -2.1167 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6731 -2.5422 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9586 -3.8350 -0.6037 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7263 -1.6079 -0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0133 -2.0098 -0.4625 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6698 0.9959 -3.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4478 2.3111 -3.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1934 2.5878 -2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2671 0.9818 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2112 1.5928 -1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7144 -0.1356 -1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1049 1.5632 -1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4515 0.2931 0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 1.5708 0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9985 1.0998 0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2411 1.3863 -0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5624 2.2410 1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9239 2.7993 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3046 2.9996 -0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4105 -0.5096 -1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8511 -0.8812 -0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0016 -0.9444 -2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9472 0.8795 -3.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9231 2.5372 -2.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4587 1.5032 -2.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8587 -0.2425 3.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1523 -1.8888 3.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0584 -3.4657 3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5877 -2.8234 0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2169 -4.5185 -0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 -1.3543 -0.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 16 18 1 0 13 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 25 26 2 0 8 27 2 0 27 28 1 0 28 29 1 0 28 30 2 0 30 31 1 0 30 6 1 0 25 9 1 0 24 12 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 7 41 1 0 10 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 17 46 1 0 17 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 18 51 1 0 20 52 1 0 21 53 1 0 23 54 1 0 27 55 1 0 29 56 1 0 31 57 1 0 M END