HMDB0061805 RDKit 3D (2S)-2-Ethylhexyl acetate 32 31 0 0 0 0 0 0 0 0999 V2000 3.7715 0.6484 -0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0722 1.2701 1.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5597 1.2322 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0949 -0.2016 0.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4011 -0.3250 0.6300 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7417 -1.7872 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1111 -2.4930 -0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8207 0.3455 -0.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1945 0.3022 -0.8982 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1735 0.8301 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6115 0.7945 -0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 1.3664 0.9711 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7060 1.2061 -0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -0.3892 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1228 0.6859 -0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3677 2.3489 1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3538 0.8101 2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3468 1.7349 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1297 1.7317 1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6754 -0.7644 0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3293 -0.6793 1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8198 0.1283 1.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8285 -1.9761 0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3353 -2.2692 1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9827 -2.5531 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4649 -3.5675 -0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -2.1526 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5326 1.4361 -0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3015 -0.1356 -1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0820 1.6644 0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8624 0.8721 -1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1086 -0.1143 0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 1 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 M END