HMDB0254175 RDKit 3D Loureirin B 43 44 0 0 0 0 0 0 0 0999 V2000 5.7794 0.3117 2.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0496 -0.7659 1.5152 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6702 -0.7367 1.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8912 0.3527 1.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5119 0.3643 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7326 1.4597 1.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3996 2.6119 2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8653 -0.7352 1.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5787 -0.7993 0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.0394 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5743 -0.1986 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1877 -0.9037 0.4358 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3778 0.4343 -1.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7451 0.2714 -1.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5173 0.8705 -2.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9323 1.6542 -3.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6984 2.2628 -4.4901 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5667 1.8194 -3.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7964 1.2195 -2.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6368 -1.8288 0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 -2.9464 0.1572 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6291 -4.1321 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -1.8466 0.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 -0.0554 2.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 0.9587 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1887 0.9314 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3339 1.2298 2.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1225 3.0374 1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6651 3.3394 2.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9961 2.2699 3.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0649 -0.3695 1.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -1.8371 0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6639 -0.4895 -1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 1.0275 -0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2365 -0.3428 -0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5919 0.7238 -2.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 3.1950 -4.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1029 2.4443 -4.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7181 1.3572 -2.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9181 -4.9928 -0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8907 -4.0481 -1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5332 -4.3879 0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6335 -2.6914 0.5750 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 4 5 1 0 5 6 1 0 6 7 1 0 5 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 8 20 1 0 20 21 1 0 21 22 1 0 20 23 2 0 23 3 1 0 19 13 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 7 28 1 0 7 29 1 0 7 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 14 35 1 0 15 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 22 40 1 0 22 41 1 0 22 42 1 0 23 43 1 0 M END