HMDB0258570 RDKit 3D Sulcotrione 34 35 0 0 0 0 0 0 0 0999 V2000 5.8410 0.4698 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7551 -0.6692 -1.0632 S 0 0 0 0 0 6 0 0 0 0 0 0 4.8640 -0.3903 -2.5182 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2162 -2.0600 -0.7829 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1158 -0.4518 -0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1856 0.3509 -1.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9153 0.4954 -0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5064 -0.1539 0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8319 0.0286 1.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9835 -0.1729 2.2868 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9935 0.4219 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2162 0.6250 1.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2538 0.3152 2.2094 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3481 1.2403 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8118 0.2273 -0.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7242 -0.4531 -1.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4382 -0.6268 -0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7002 -1.5886 -0.9578 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4335 -0.9528 1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0055 -1.8185 2.6019 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 -1.1158 0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6233 1.4889 -0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8672 0.1810 -0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7273 0.3346 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5061 0.8609 -2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1973 1.1222 -1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8365 1.3647 -0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9530 2.1512 -0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1761 1.4981 1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5344 -0.4528 -0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4185 0.8219 -1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5327 0.1009 -2.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1596 -1.4482 -1.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4355 -1.7443 1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 8 19 1 0 19 20 1 0 19 21 2 0 21 5 1 0 17 11 1 0 1 22 1 0 1 23 1 0 1 24 1 0 6 25 1 0 7 26 1 0 11 27 1 0 14 28 1 0 14 29 1 0 15 30 1 0 15 31 1 0 16 32 1 0 16 33 1 0 21 34 1 0 M END