HMDB0031869 RDKit 3D (S,E)-Lyratol propanoate 35 34 0 0 0 0 0 0 0 0999 V2000 -3.9240 -2.1192 -0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1349 -1.1541 -0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3633 -0.2557 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 -0.4004 -0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -0.7457 0.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3658 -1.0104 1.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 -0.8652 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 0.0147 0.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5991 -0.0121 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9961 -0.8064 -0.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5927 0.8765 0.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 0.6212 0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8145 1.1281 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9756 2.0130 -0.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2152 1.4908 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9968 -2.2435 0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4772 -2.7633 -1.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -1.0105 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5636 -0.4479 0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -0.2111 -1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4773 -1.5478 2.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2546 -1.6530 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4756 -0.0585 2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 -0.6498 -1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7419 -1.9306 0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3322 1.9617 0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6534 0.6565 2.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7384 1.1652 0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1509 -0.4654 0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9652 0.8960 -0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9325 1.7983 -1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3306 3.0174 -1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5836 0.9676 0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9166 1.1744 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3648 2.5694 0.1215 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 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 3 13 1 0 13 14 2 3 13 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 4 20 1 0 6 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 M END