HMDB0251668 RDKit 3D (2E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]... 57 57 0 0 0 0 0 0 0 0999 V2000 -6.4827 3.1312 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9946 2.2050 0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9187 0.7503 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6199 0.0864 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7804 0.5805 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4776 -0.2074 -1.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6473 -0.1236 0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 -0.9152 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4589 -0.4438 -1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7442 -1.3802 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 -1.0864 -0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2489 -0.7100 -0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4059 0.5947 -0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2865 1.5346 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7642 1.0374 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 2.2767 0.4688 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 0.1435 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1905 0.5816 0.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5346 1.3695 1.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7644 -1.1441 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8327 -1.9923 -0.2397 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5478 -2.4510 0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3838 -1.5888 -0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3118 -2.8276 -0.7487 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3066 -2.7720 -1.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1874 -3.6632 -1.5524 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9734 -3.0592 -1.7289 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2581 3.9725 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4818 2.7308 -1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5655 3.6660 -0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0903 2.4454 0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5069 2.4497 1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4100 0.2624 1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6463 0.4349 -0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0809 0.1229 1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7974 -1.0281 0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5352 1.6650 -0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3237 0.4601 -1.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6864 -1.2882 -1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9266 0.1757 -1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3526 0.9320 0.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2009 -0.5564 1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8297 -0.7433 1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6005 -1.9902 0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9145 -0.5958 -2.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 0.5889 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1912 -2.4369 -0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6275 2.5636 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 1.2829 0.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8487 1.6709 -1.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9886 2.3202 1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4176 0.8510 2.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6452 1.5328 1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3653 -3.1324 0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8522 -2.8166 1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0256 -1.5362 1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4581 -3.9300 -1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 2 3 11 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 17 20 2 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 2 0 10 25 1 0 25 26 2 0 25 27 1 0 23 12 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 7 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 9 46 1 0 11 47 1 0 14 48 1 0 14 49 1 0 14 50 1 0 19 51 1 0 19 52 1 0 19 53 1 0 22 54 1 0 22 55 1 0 22 56 1 0 27 57 1 0 M END