HMDB0035003 RDKit 3D Xanthohumol D 49 50 0 0 0 0 0 0 0 0999 V2000 -3.6849 1.4037 0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5092 0.3791 0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9806 0.6613 0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0915 -1.0504 0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4738 -1.5854 2.0772 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6018 -1.1655 0.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 -0.5495 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6085 -0.1743 -1.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9961 -0.3763 -1.6754 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9462 0.4186 -2.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5977 0.6392 -2.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0213 1.2514 -3.6065 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 1.5975 -4.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 0.2742 -1.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 0.5307 -1.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9342 1.1298 -2.5284 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6975 0.3703 -0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9649 -0.1222 0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3092 -0.1633 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4269 -0.7312 2.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6193 -0.8277 3.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7632 -0.3412 2.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9804 -0.4256 3.2549 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6631 0.2284 1.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4399 0.3204 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5722 -0.3191 -0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0462 -0.7241 0.8065 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 1.3265 0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0819 2.4181 1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4539 0.3676 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3965 -0.0049 0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1617 1.7235 0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6533 -1.6533 0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2917 -2.5591 2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2743 -2.2206 0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2077 -0.6165 1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 -0.1033 -2.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5161 0.7070 -3.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5953 2.2720 -4.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 2.0409 -5.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2425 0.6455 -5.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 0.7646 -1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1808 -0.5366 1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5533 -1.1352 2.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 -1.2777 4.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5813 -1.2349 3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5691 0.6169 0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4436 0.7796 -0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4016 -1.1685 1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 14 26 2 0 26 27 1 0 26 7 1 0 25 19 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 9 37 1 0 10 38 1 0 13 39 1 0 13 40 1 0 13 41 1 0 17 42 1 0 18 43 1 0 20 44 1 0 21 45 1 0 23 46 1 0 24 47 1 0 25 48 1 0 27 49 1 0 M END