HMDB0038902 RDKit 3D Lupiwighteone 43 45 0 0 0 0 0 0 0 0999 V2000 5.1077 2.7635 0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6059 1.3655 0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6176 0.3248 0.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2979 1.1314 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6773 -0.1790 0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8358 -0.6296 -0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3287 -1.1158 -1.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7297 -1.2089 -1.6507 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5091 -1.4998 -2.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0999 -1.4044 -2.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -1.8019 -3.3941 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4484 -0.9130 -1.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8021 -0.7816 -0.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5996 -1.1283 -1.8671 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3024 -0.2754 0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6962 -0.1314 0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5261 0.4170 -0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8620 0.5280 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4002 0.1315 1.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7751 0.2774 1.3038 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5639 -0.4099 2.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2198 -0.5420 1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3407 0.0741 1.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0587 -0.0638 0.9097 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4468 -0.5291 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9848 2.9959 0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3735 2.8935 -0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2936 3.4500 0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5376 0.5916 0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3438 -0.6844 0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9668 0.3488 1.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6164 1.9615 0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -0.1088 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3924 -1.0035 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 -1.5693 -2.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8718 -1.8899 -3.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6297 -1.8373 -3.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 0.7329 -1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5074 0.9542 -0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1890 -0.0043 2.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9194 -0.7390 2.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5695 -0.9686 2.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5929 0.4772 2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 15 23 2 0 23 24 1 0 24 25 1 0 25 6 1 0 25 12 2 0 22 16 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 8 35 1 0 9 36 1 0 11 37 1 0 17 38 1 0 18 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 M END