HMDB0304617 RDKit 3D Dulcisxanthone B 56 58 0 0 0 0 0 0 0 0999 V2000 4.2492 -4.3355 0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2395 -2.9280 0.4409 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0446 -2.1994 0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8937 -2.9052 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 -2.1726 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4056 -2.8190 -0.2168 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5577 -2.2162 -0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 -2.9771 -0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9598 -2.4238 -0.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0773 -3.2033 -0.9169 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0438 -1.0333 -0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3112 -0.4733 -0.7063 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9396 -0.2398 -0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0252 1.2433 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4022 1.7339 -0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1195 2.3551 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5169 2.5672 1.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4935 2.8582 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7024 -0.8484 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5334 -0.1467 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6078 1.0780 0.1021 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6692 -0.8058 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8665 -0.1411 0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 1.1984 0.4757 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0728 -0.8384 0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3715 -0.2109 0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3912 1.2367 0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 1.9882 0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8461 1.3838 -1.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0987 3.4594 0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 -4.7183 0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7687 -4.8330 1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6504 -4.6660 -0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8272 -3.9654 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5799 -4.0473 -0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9607 -4.2047 -0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1313 -1.0353 -0.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4138 1.7295 -1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7537 1.6144 0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8098 1.5831 -1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2537 1.5708 2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2384 3.0199 2.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 3.2443 1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8890 2.3974 -0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4289 3.9509 0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1473 2.6274 1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2707 1.8854 0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0413 -0.5406 -0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8396 -0.6913 1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8521 1.7078 1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1968 0.8149 -1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4603 2.1424 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6011 0.6928 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8414 3.7030 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4777 3.9473 -0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1083 3.8861 0.4465 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 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 16 18 1 0 13 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 23 25 2 0 25 26 1 0 26 27 1 0 27 28 2 3 28 29 1 0 28 30 1 0 25 3 1 0 22 5 2 0 19 7 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 8 35 1 0 10 36 1 0 12 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 18 46 1 0 24 47 1 0 26 48 1 0 26 49 1 0 27 50 1 0 29 51 1 0 29 52 1 0 29 53 1 0 30 54 1 0 30 55 1 0 30 56 1 0 M END