HMDB0254850 RDKit 3D 2,3-Dihydroxypropyl octanoate 37 36 0 0 0 0 0 0 0 0999 V2000 5.0700 -0.1129 -0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0589 0.9910 -1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4418 1.3668 0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7156 0.2300 0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5963 -0.3267 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9442 -1.4237 0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1962 -2.0851 0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -1.0586 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3339 -0.6412 -1.4473 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -0.5190 0.7016 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 0.4563 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0305 -0.0575 -0.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6800 -1.1231 0.0066 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0485 1.0285 -0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 1.4246 0.3725 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7279 0.0737 -0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6178 -1.1220 -0.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7015 -0.0319 -1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6004 1.9132 -1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2685 0.7865 -1.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2720 1.6489 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7305 2.1902 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2843 0.5787 1.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3665 -0.6217 1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8297 0.4556 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0019 -0.7369 -0.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5226 -1.0312 1.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6727 -2.2438 1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1631 -2.6272 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6483 -2.8376 0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 1.3940 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4857 0.7869 1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6306 -0.3920 -1.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6569 -1.1086 -0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5974 1.9139 -1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8902 0.5970 -1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0737 2.2646 0.3210 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 14 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 M END