HMDB0039949 RDKit 3D Oudemansin A 43 43 0 0 0 0 0 0 0 0999 V2000 -2.4053 1.9424 -2.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6451 1.2214 -1.2081 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6031 0.4932 -0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9772 -0.3157 0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4219 -0.3916 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7628 -1.1651 1.6387 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3828 0.3395 0.0701 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7458 0.2878 0.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0202 -1.1117 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2014 -2.5573 0.7065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -0.7218 0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5033 0.6997 1.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4805 1.4921 0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6702 1.1757 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 2.1298 0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 2.0148 -0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1473 0.9691 -1.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1646 0.0319 -1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.1451 -0.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -1.4325 1.5356 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9412 -2.5214 1.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6439 2.7195 -2.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3538 2.3471 -2.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0554 1.2100 -3.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 0.6442 -0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2966 0.2984 -0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0137 1.1784 0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9459 -0.6670 0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1221 -0.9773 2.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9927 -3.2918 1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2707 -2.7127 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5773 -2.7258 -0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3841 -1.0007 -0.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3794 1.1392 1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3287 2.5609 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5932 2.9855 0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6441 2.7761 -0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0842 0.9055 -1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3561 -0.7925 -2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2399 -0.6141 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6473 -2.4338 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 -3.4588 1.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6398 -2.8157 2.0106 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 2 0 5 7 1 0 7 8 1 0 4 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 11 20 1 0 20 21 1 0 19 14 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 8 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 21 41 1 0 21 42 1 0 21 43 1 0 M END