HMDB0037528 RDKit 3D Blennin B 39 41 0 0 0 0 0 0 0 0999 V2000 0.1728 2.7464 1.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 1.6862 0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3522 0.8635 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7403 0.9343 0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4774 -0.2456 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9547 -1.1826 1.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7304 0.2231 -0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5628 -0.9574 -0.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -0.2763 -0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -1.2422 -0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7646 -2.3774 -1.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1539 -0.7441 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6448 0.4504 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0069 1.7419 0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0489 0.3762 -0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8909 1.2806 -0.7366 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3429 -0.9725 -0.8279 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 -1.7059 -0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7002 -1.9543 1.0994 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3319 2.2841 2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5365 3.4056 0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9947 3.3885 1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1864 1.8772 0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8353 0.9462 1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -1.5088 1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7519 -0.6792 1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4071 -2.0630 0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6026 0.1921 -0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5771 1.2770 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9014 -0.4195 -1.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9733 -0.9725 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4914 -2.0486 -0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0391 0.0404 -1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3987 -1.5553 0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0695 -2.1700 -2.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0998 2.4017 -0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5823 2.2338 0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -2.6000 -0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 -2.6743 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 14 2 1 0 9 3 1 0 18 12 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 4 24 1 0 6 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 14 36 1 0 14 37 1 0 18 38 1 0 19 39 1 0 M END