HMDB0038712 RDKit 3D (S)-Isosclerone 23 24 0 0 0 0 0 0 0 0999 V2000 -0.2628 -2.7373 0.6055 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5955 -1.6485 0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9739 -1.2615 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1131 0.2171 -0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2185 1.0190 0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4838 2.3608 0.4562 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 0.7030 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1284 1.6914 -0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3965 1.3326 -0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6927 0.0016 -0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7408 -1.0114 -0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0687 -2.3205 -0.6163 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4657 -0.6556 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6532 -1.5466 0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2819 -1.7949 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9259 0.3941 -1.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1603 0.5056 -0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3198 0.5946 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9022 2.7879 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 2.7318 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1223 2.1134 -0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6825 -0.3226 -0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -3.1541 -0.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 2 1 0 13 7 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 6 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 12 23 1 0 M END