HMDB0245164 RDKit 3D 2-Hydroxypropyl octanoate 36 35 0 0 0 0 0 0 0 0999 V2000 5.8377 -0.0243 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5644 0.5147 0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3359 -0.0249 -0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 0.5714 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8385 0.1430 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6216 -1.3481 -0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 -1.5946 -0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7806 -0.8635 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -1.4052 0.9721 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2816 0.3485 -0.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2524 1.0394 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5457 0.2695 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1274 0.1388 -1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4351 1.0762 1.1317 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6010 -1.0452 -0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6059 -0.0317 0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1714 0.6205 -1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5905 1.6298 0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5058 0.2990 1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4223 0.2708 -1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3927 -1.1241 -0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2084 1.6814 0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1477 0.3614 1.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0186 0.6270 0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7506 0.4492 -1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3982 -1.9025 -0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5022 -1.7316 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9764 -2.6785 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7091 -1.1496 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8654 1.2526 1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4648 2.0402 -0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3909 -0.6992 0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3419 0.0665 -1.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7253 1.0413 -1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8055 -0.7423 -1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 1.9240 1.4097 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 M END