HMDB0041363 RDKit 3D Secoeremopetasitolide B 58 60 0 0 0 0 0 0 0 0999 V2000 4.6347 -1.7950 -1.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 -1.8855 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 -1.3349 0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3305 -1.4602 1.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4225 -0.5943 -0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5057 -0.4783 -1.5152 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3424 -0.0019 0.3585 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3631 0.7046 -0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5507 2.1966 -0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8812 2.7374 1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1262 2.0681 2.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9895 4.1959 0.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0622 4.8806 1.6369 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6065 4.4402 -0.4851 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3722 3.2536 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0604 3.1771 -2.3536 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0321 0.2291 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9146 1.1627 -1.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5926 0.0559 1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4209 1.2483 1.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5295 -1.1312 1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7651 -2.4411 1.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6972 -2.2659 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1435 -1.1617 -0.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6293 -1.4713 -1.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0221 -0.9302 -2.3661 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 -1.9030 -3.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3221 -1.0691 -0.0554 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5591 -2.3514 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7590 -0.7456 -2.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8219 -2.2466 -2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2058 -2.4287 0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4569 -2.5526 2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3196 -1.1875 2.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1381 -0.8856 2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6548 0.5808 -1.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7594 1.1871 2.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6839 2.7996 2.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1905 1.8094 2.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0223 4.5587 1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8355 4.8632 1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 0.9058 -0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6255 1.1240 -2.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 2.2236 -0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -0.1360 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4257 1.2425 1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5878 1.2368 2.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9528 2.2160 1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2045 -1.1712 1.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4581 -3.2131 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3648 -2.6846 2.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 -3.1883 -0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 -2.1441 0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5978 -1.1664 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7276 -2.5958 -1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 -2.5080 -2.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5779 -2.6162 -3.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6674 -1.3524 -4.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 0 8 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 15 9 1 0 24 17 1 0 28 21 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 4 33 1 0 4 34 1 0 4 35 1 0 8 36 1 0 11 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 13 41 1 0 18 42 1 0 18 43 1 0 18 44 1 0 19 45 1 0 20 46 1 0 20 47 1 0 20 48 1 0 21 49 1 0 22 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 24 54 1 0 25 55 1 0 27 56 1 0 27 57 1 0 27 58 1 0 M END