HMDB0302038 RDKit 3D 3beta-Chlorodehydrocostuslactone 35 37 0 0 0 0 0 0 0 0999 V2000 4.0764 -0.0454 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8836 -0.5771 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5692 -1.9920 0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3089 -2.9828 -0.2579 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 -2.0526 0.6423 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6451 -0.8054 0.5378 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5855 0.1223 -0.1814 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6229 1.5139 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5355 2.3075 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6912 1.4686 -0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5479 1.8765 0.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0188 0.2649 -1.0024 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4784 0.0458 -1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9022 -1.1690 -0.5174 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4796 -0.9631 0.2472 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8079 -1.3235 0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 -1.6682 1.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -1.0007 -0.3020 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2824 1.0064 -0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9674 -0.6768 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4157 -0.4334 1.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3814 0.2164 -1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 2.0284 0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4001 1.5298 1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8562 2.3327 -1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4147 3.3064 0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4676 1.3428 0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 2.7527 1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4931 0.3033 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0876 0.9324 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6378 -0.1703 -2.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8604 -2.0561 -1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9303 -1.8676 2.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1218 -1.7729 2.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3997 -1.7940 -1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 3 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 3 16 18 1 0 7 2 1 0 18 12 1 0 18 6 1 0 1 19 1 0 1 20 1 0 6 21 1 1 7 22 1 6 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 11 27 1 0 11 28 1 0 12 29 1 6 13 30 1 0 13 31 1 0 14 32 1 6 17 33 1 0 17 34 1 0 18 35 1 6 M END