HMDB0034279 RDKit 3D Egonol 42 45 0 0 0 0 0 0 0 0999 V2000 -1.6635 -3.4249 2.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7484 -2.5918 1.5137 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1788 -1.4531 0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5221 -1.1541 0.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9961 -0.0371 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4320 0.1981 0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9581 1.0513 1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7021 0.5375 2.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3759 0.3926 2.8834 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0888 0.7771 -0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7631 0.4515 -0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3441 1.0747 -1.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 0.3142 -0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 0.6312 -1.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 1.7322 -1.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4488 1.9877 -2.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4729 1.1863 -1.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 0.0737 -0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8334 -0.1918 -0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 -0.5573 -0.6587 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3237 -0.1078 -1.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8622 1.1989 -1.8846 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 -0.6995 0.0489 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2694 -0.6433 0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0882 -4.3133 2.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4516 -3.8007 1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -2.8715 3.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1977 -1.8246 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7065 0.6776 -0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9621 -0.7838 0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0833 1.0633 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6683 2.1249 1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1616 1.2730 3.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2787 -0.4027 2.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8999 1.2164 2.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4745 1.6263 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 1.9708 -1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3077 2.3589 -2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6423 2.8602 -2.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6719 -1.0766 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3526 -0.1036 -1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2254 -0.7409 -2.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 5 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 13 23 1 0 23 24 1 0 24 3 1 0 24 11 2 0 19 14 1 0 22 17 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 12 37 1 0 15 38 1 0 16 39 1 0 19 40 1 0 21 41 1 0 21 42 1 0 M END