HMDB0036423 RDKit 3D Cynaropicrin 47 49 0 0 0 0 0 0 0 0999 V2000 3.2692 1.8324 1.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8545 0.8822 0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 0.8373 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8967 1.9226 0.8727 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0289 -0.1496 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5451 -1.0972 -0.8366 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -0.1480 0.0185 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8005 -1.1387 -0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1236 -1.9311 0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9929 -1.3921 1.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7398 -2.3155 1.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4586 -0.0219 1.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9378 0.0373 1.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3995 1.3997 1.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3489 2.3577 2.3368 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4858 1.7134 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 2.6836 -0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 0.7622 0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3893 -0.0209 -1.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1339 -1.1913 -0.9903 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7938 -1.9367 -2.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4475 -2.8537 -2.6905 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4696 -1.4815 -2.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2058 -1.8626 -3.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0565 -0.4850 -1.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9019 2.5966 1.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2095 1.8691 1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6799 -0.1349 0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4835 0.8708 -0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2702 2.5179 0.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -1.8373 -1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9221 -2.1950 1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 -2.9630 0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5011 -3.3659 1.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5935 -2.0569 2.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9256 0.4908 2.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5226 -0.7211 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1213 -0.0410 2.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4508 1.3270 1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4325 2.7087 2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9832 2.8670 -1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5463 3.3348 -0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4113 1.3694 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8228 0.6241 -1.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1709 -1.4176 -3.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1555 -2.5987 -4.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4783 0.3529 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 2 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 3 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 3 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 3 23 25 1 0 25 8 1 0 18 12 1 0 25 19 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 15 40 1 0 17 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 24 45 1 0 24 46 1 0 25 47 1 0 M END