HMDB0036771 RDKit 3D Laurenobiolide 43 44 0 0 0 0 0 0 0 0999 V2000 2.7240 1.7579 -1.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6466 1.8332 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3868 2.8026 0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2396 3.3879 1.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0382 2.9259 0.4916 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 1.7046 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4825 1.2973 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9184 0.9251 0.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0857 1.6337 1.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2256 -0.0784 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0538 -0.6584 -0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6578 -1.9050 -1.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3703 -2.4974 -0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2491 -4.0029 -1.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6184 -1.7403 -0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -0.4065 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3226 -0.3243 -0.2646 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0832 -0.1941 0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5816 -0.1208 0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5584 -0.1354 2.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4636 0.9209 -0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5242 2.4487 -1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7858 0.9760 -2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2773 2.1768 -0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0193 0.5142 1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5885 2.1352 1.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 2.2039 0.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6298 2.3681 2.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 0.9120 2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2218 -0.3709 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4622 -0.7637 0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 0.0201 -1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4329 -2.6635 -0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -2.0138 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -4.3900 -0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1781 -4.4214 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2936 -4.1832 -2.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 -2.4290 -0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7254 -0.3056 0.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0024 -1.0868 1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 0.6774 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8836 0.1725 -0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2688 0.8976 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 2 0 16 21 1 0 21 2 1 0 21 6 1 0 1 22 1 0 1 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 14 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 16 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 21 43 1 0 M END