HMDB0302309 RDKit 3D Dehydrodihydrocostus lactone 37 39 0 0 0 0 0 0 0 0999 V2000 -2.2432 2.7048 0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3578 1.7420 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 2.0934 0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7373 0.9254 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1278 -0.0668 0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5813 0.0135 -0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5296 -0.4902 0.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5341 -0.8363 -1.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4603 -1.5015 -1.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2285 -0.7527 -1.9676 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4539 0.1068 -1.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9751 -0.3551 -1.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1483 -1.7114 -0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7516 -2.8737 -1.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8824 -1.5647 0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6543 -0.2807 0.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 0.5468 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9471 3.6524 0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2775 2.5307 0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6223 2.5780 -0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 2.8720 1.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 0.4187 1.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6214 1.2485 1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9497 -1.1132 0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8371 1.0415 -0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3176 0.2921 0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0320 -1.4301 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9794 -0.5177 1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5112 1.1029 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2677 -0.4196 -2.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9228 -3.8219 -0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2204 -2.8395 -2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2145 -1.6022 1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6235 -2.3912 0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6691 0.2709 1.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7033 -0.4771 0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7353 0.9054 -1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 3 13 15 1 0 15 16 1 0 16 17 1 0 17 2 1 0 11 5 1 0 17 12 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 7 28 1 0 11 29 1 0 12 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 17 37 1 0 M END