HMDB0029491 RDKit 3D Isoferreirin 36 38 0 0 0 0 0 0 0 0999 V2000 3.0210 1.4898 2.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 1.1916 1.4334 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4186 0.3845 0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6724 -0.1802 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0247 -1.0053 -0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2799 -1.5786 -0.8857 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1113 -1.2516 -1.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -0.6712 -1.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 0.1475 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1589 0.7711 -0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6426 0.8328 -1.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8965 1.4415 -1.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7386 0.7367 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1205 0.8202 -0.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 0.0802 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2565 0.1785 0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3147 -0.6957 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9096 -0.7754 1.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3895 -1.5638 2.2379 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1216 -0.0480 0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 -0.0698 0.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0931 -0.7823 1.2945 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 2.3606 3.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0057 1.7200 1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1008 0.6349 3.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4427 -0.0248 1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5238 -2.4627 -0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3658 -1.9023 -2.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1478 -0.8692 -2.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2841 1.8015 -0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8562 -0.1468 -2.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1685 1.5358 -2.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5616 1.4358 -1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6768 -0.5010 -0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9286 -1.2626 1.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 -1.7715 2.5097 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 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 9 3 1 0 21 10 1 0 20 13 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 14 33 1 0 16 34 1 0 17 35 1 0 19 36 1 0 M END