HMDB0036098 RDKit 3D Isoegomaketone 24 24 0 0 0 0 0 0 0 0999 V2000 -3.4822 0.2132 0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4408 0.0028 -0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 -1.4650 -0.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2304 0.8290 -0.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 0.3188 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 1.1634 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 2.4040 0.1959 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 0.5911 0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8336 -0.7489 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 -0.7973 0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6267 0.4212 0.5026 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6363 1.2731 0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5606 -0.7430 1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1351 0.9699 1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4588 0.4531 0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8965 0.3326 -1.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -1.8160 0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0399 -2.0159 -0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4149 -1.6236 -1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3687 1.8961 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0556 -0.7569 -0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1802 -1.5698 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8521 -1.6681 0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7544 2.3363 0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 8 2 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 9 22 1 0 10 23 1 0 12 24 1 0 M END