HMDB0033770 RDKit 3D 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone 67 71 0 0 0 0 0 0 0 0999 V2000 -5.1412 4.2103 3.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0694 3.4940 3.3265 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0737 2.5211 2.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8949 1.9214 1.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8313 0.9122 1.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 0.4071 0.7161 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5337 -0.1029 0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4247 0.7755 -0.1437 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7073 0.3809 0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6738 0.8595 -0.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9337 0.3992 -0.6151 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9245 0.7376 -1.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8432 1.5788 -0.8537 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3883 0.9558 0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3883 -0.0769 -0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0647 -0.6989 0.7712 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5590 -1.1061 -1.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4689 -1.9161 -1.7224 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6816 -0.4337 -2.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5105 0.0124 -3.0763 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9278 -1.1019 0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8214 -1.7767 -0.9862 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -1.7074 1.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 -2.0365 2.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1121 -0.6461 1.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9433 -1.1436 2.4895 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0312 0.5426 0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -0.4326 -0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0139 -1.0114 -0.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2804 -0.7720 -1.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3198 -1.7607 -2.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5189 -2.0987 -2.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5831 -3.0810 -3.6494 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6826 -1.4770 -2.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6257 -0.5050 -1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4143 -0.1467 -0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3341 0.7670 0.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2175 1.1355 0.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2459 2.1328 1.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1410 3.8046 3.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0893 5.2392 3.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0444 4.4065 4.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9896 2.2441 2.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4819 -0.9963 -0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0742 0.8657 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7149 1.9672 -1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 0.4286 -1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5011 1.3082 -2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9783 1.6948 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6429 0.4429 0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0938 0.3935 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0384 -0.4876 0.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9983 -1.7346 -0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1164 -2.8267 -1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 -1.1756 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -0.7360 -3.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0001 -1.2297 0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -1.2968 -1.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5238 -2.5523 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2092 -2.9506 2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 0.2134 2.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5193 -1.7362 3.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3965 -2.2293 -2.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7969 -3.5794 -3.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6433 -1.7590 -2.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5201 -0.0038 -0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1925 2.5732 2.0222 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 4 5 1 0 5 6 1 0 6 7 1 0 7 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 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 9 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 5 27 2 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 32 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 3 1 0 25 7 1 0 38 27 1 0 19 12 1 0 36 30 1 0 1 40 1 0 1 41 1 0 1 42 1 0 4 43 1 0 7 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 12 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 16 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 21 57 1 0 22 58 1 0 23 59 1 0 24 60 1 0 25 61 1 0 26 62 1 0 31 63 1 0 33 64 1 0 34 65 1 0 35 66 1 0 39 67 1 0 M END