HMDB0037498 RDKit 3D 1-Ethenylhexyl butanoate 36 35 0 0 0 0 0 0 0 0999 V2000 2.3898 2.6550 0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2484 2.1249 0.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2692 1.6236 -0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1569 2.0847 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6775 1.6480 1.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7335 0.1611 1.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6286 -0.4752 0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 -1.9709 0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3358 0.2336 -0.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6646 -0.3394 -1.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 0.3340 -2.5909 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7092 -1.8196 -1.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 -2.2452 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1647 -1.5944 -1.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0827 3.0106 1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6944 2.7817 -0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 2.0804 1.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 2.0977 -1.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1539 3.1794 -0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7774 1.6601 -0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1944 2.1824 2.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7541 1.9899 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1234 -0.0023 2.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7021 -0.2213 1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6557 -0.0273 0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3405 -0.2611 -0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6154 -2.2024 1.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9757 -2.4503 -0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8057 -2.4523 1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6796 -2.1732 -2.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1519 -2.3056 -1.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -3.3496 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0243 -1.8206 0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 -1.6881 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9535 -0.4865 -1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2281 -1.9619 -2.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 3 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 8 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 M END