HMDB0035814 RDKit 3D Lactucin 36 38 0 0 0 0 0 0 0 0999 V2000 3.7216 1.6250 -0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 1.1260 -0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8434 1.0117 -1.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3686 1.2508 -3.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5195 0.6018 -1.6055 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3324 0.9952 -0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9057 0.5814 0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1454 1.1947 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3973 2.6386 -0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7046 2.7934 -0.8069 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0695 0.2767 -0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5615 -1.0365 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2287 -2.1268 0.1165 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1821 -0.8303 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4151 -1.8634 0.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9879 -3.2020 0.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0159 -1.7178 1.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7576 -0.9760 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0812 -1.3924 0.1575 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6049 0.4898 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0662 1.6046 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4049 2.0804 -1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 2.1066 -0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8061 0.9643 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2256 3.2500 0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 3.0316 -1.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8098 2.1833 -1.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1107 0.4380 -0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8232 -3.1932 1.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2421 -3.9487 1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3715 -3.5503 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1674 -1.2428 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4556 -2.7356 1.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3496 -1.2216 -0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2606 -2.0310 -0.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7796 0.8243 1.3769 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 8 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 2 1 0 20 6 1 0 14 7 1 0 1 21 1 0 1 22 1 0 6 23 1 0 7 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 16 29 1 0 16 30 1 0 16 31 1 0 17 32 1 0 17 33 1 0 18 34 1 0 19 35 1 0 20 36 1 0 M END