HMDB0250392 RDKit 3D Cochinchinenin 68 71 0 0 0 0 0 0 0 0999 V2000 6.7657 0.8330 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3562 0.8078 0.1727 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6323 1.9426 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2421 3.0794 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5377 4.2187 -0.9921 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1779 5.3290 -1.5068 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1763 4.2370 -0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5774 3.1145 -0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2656 1.9604 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5482 0.7517 0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4522 -0.2325 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -1.5216 -0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4017 -2.2952 0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1758 -1.9207 2.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7371 -2.6048 3.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5551 -3.7020 3.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1242 -4.3952 4.1292 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7834 -4.0792 1.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2184 -3.3892 0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 -1.6194 -0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5893 -0.6370 -0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9772 -0.8347 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9252 0.2789 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5528 0.6726 -1.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4826 1.8029 -1.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 2.9708 -1.1439 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9126 1.6673 -0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7034 2.7773 -0.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0616 2.6383 -0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6905 1.4116 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0555 1.2526 -0.3771 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8811 0.2999 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5153 0.4146 -0.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4031 -2.1372 -0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7768 -2.3321 -0.4115 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5207 -3.1909 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1716 -2.9288 -0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7018 -3.9994 -0.5115 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2429 1.5855 0.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0164 1.1109 -1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2276 -0.1509 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3219 3.0238 -0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1669 5.3733 -1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 5.1225 -1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4946 3.1363 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 1.1276 0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1624 0.3198 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0405 0.2213 -1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5241 -0.4712 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1016 -2.1596 -1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 -1.0813 2.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5644 -2.3168 4.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0086 -4.1640 4.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 -4.9156 1.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4154 -3.7044 -0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2559 0.3667 -0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3671 1.1702 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7744 0.0612 0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 -0.1353 -1.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7415 1.0087 -2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2762 3.7907 -0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7197 3.4997 -0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4524 1.1173 0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3413 -0.6897 -0.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9720 -0.5024 -1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1109 -3.2760 -0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9352 -4.1820 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3321 -4.9273 -0.6177 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 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 12 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 30 32 1 0 32 33 2 0 22 34 2 0 34 35 1 0 34 36 1 0 36 37 2 0 37 38 1 0 9 3 1 0 19 13 1 0 37 20 1 0 33 27 1 0 1 39 1 0 1 40 1 0 1 41 1 0 4 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 14 51 1 0 15 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 21 56 1 0 23 57 1 0 23 58 1 0 24 59 1 0 24 60 1 0 28 61 1 0 29 62 1 0 31 63 1 0 32 64 1 0 33 65 1 0 35 66 1 0 36 67 1 0 38 68 1 0 M END