HMDB0033526 RDKit 3D Chalciporone 39 39 0 0 0 0 0 0 0 0999 V2000 5.2080 -2.7801 -0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0418 -2.1396 0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -0.7023 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3632 -0.2351 0.0219 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3168 0.1501 1.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4516 0.8798 0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4484 1.7308 0.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1236 1.5448 0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7556 2.4348 1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0462 2.3811 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7716 1.4237 0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 0.5290 -0.3523 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7387 -0.5043 -1.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -0.9297 -2.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9147 -1.1126 -1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 -0.7963 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0141 0.3522 0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2639 1.6047 0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1104 -2.6376 -1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 -2.3156 -0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2525 -3.8797 -0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1347 -2.2103 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8415 -2.6624 1.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6729 -0.4625 1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 0.9444 1.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9315 0.1048 -0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1516 1.4944 -0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7481 2.5129 1.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 0.7431 -0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3518 3.2405 1.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6729 3.1158 1.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4671 -1.4950 -3.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0294 -1.5370 -1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4448 -0.0582 -2.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1611 -1.8515 -1.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 -1.5950 0.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 0.3641 1.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5464 1.9687 -0.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5270 2.3854 1.1600 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 11 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 18 39 1 0 M END