HMDB0037127 RDKit 3D Oleyl acetate 60 59 0 0 0 0 0 0 0 0999 V2000 7.7306 0.7100 2.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7479 -0.4279 1.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 -0.4056 0.7411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 -0.5195 1.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0489 -0.4574 0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0784 -1.5626 -0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9379 -1.7289 -1.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5144 -0.6721 -2.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0039 0.5480 -1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 0.9368 -1.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1489 2.1641 -1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0422 1.7879 -0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0694 1.1442 -1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3162 0.7447 -0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2533 0.1118 -1.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5448 -0.3454 -0.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 -1.3815 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7461 -1.7455 0.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4307 -0.6283 1.1905 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9691 0.1120 2.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7403 1.2900 2.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8899 -0.2140 2.8074 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7560 1.0584 2.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3372 0.3136 3.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1319 1.5677 2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -0.2666 0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -1.3962 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5409 0.5553 0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6315 -1.2795 0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1676 0.3845 2.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1555 -1.4265 2.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2994 0.5019 -0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0973 -0.4026 1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0371 -1.5295 -1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1673 -2.5354 0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0078 -2.0694 -0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1536 -2.6985 -1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6802 -1.1137 -2.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.4309 -3.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.2331 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1516 0.3056 -2.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9019 2.7484 -0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2387 2.8321 -2.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 1.0255 0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4251 2.6304 0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3791 1.7841 -2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6603 0.1972 -1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0781 0.1015 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7543 1.7012 -0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6995 -0.7111 -2.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 0.9002 -2.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0566 0.5322 -0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1395 -0.8147 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7175 -0.9481 0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8572 -2.2535 -0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3017 -2.1846 -0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6645 -2.5436 1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8328 1.1287 2.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4365 2.2178 2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4508 1.4242 3.8334 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 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 2 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 0 15 51 1 0 16 52 1 0 16 53 1 0 17 54 1 0 17 55 1 0 18 56 1 0 18 57 1 0 21 58 1 0 21 59 1 0 21 60 1 0 M END