HMDB0037038 RDKit 3D Cyclodehydroisolubimin 39 41 0 0 0 0 0 0 0 0999 V2000 3.3596 1.5074 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1009 0.2229 -0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2351 -0.7372 -0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7424 -0.2905 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.9427 1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0933 -1.2248 0.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5598 0.0286 0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6544 0.7633 -0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2654 0.9816 1.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0079 1.8502 0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 1.2685 -1.1756 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5776 -0.0908 -0.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0671 -0.7789 -2.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8565 -0.7293 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2227 -0.4110 0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 -0.7291 1.2514 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3362 0.2585 1.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3934 1.8842 -0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6045 2.2709 -0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9192 -1.7320 0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5698 -0.9062 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1079 -0.3360 0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5142 -1.0632 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 -0.2105 1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9569 -1.8564 1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6131 -1.6039 1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0973 -2.0251 -0.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9672 1.5587 0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5098 1.2115 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5658 1.5450 1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0906 1.9169 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5659 2.8811 0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9077 -1.8441 -1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -0.3133 -2.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8835 -0.7661 -2.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6665 -0.3491 -1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8538 -1.8375 -0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9245 -0.4187 2.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8992 1.0468 2.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 8 4 1 0 17 9 1 0 12 7 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 17 38 1 0 17 39 1 0 M END