HMDB0003598 RDKit 3D Retinyl ester 52 52 0 0 0 0 0 0 0 0999 V2000 1.1688 -1.6762 -1.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9835 -0.5107 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3101 0.0774 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4474 -0.3997 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8147 -0.0263 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8147 -1.0520 -0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0391 -1.0317 -2.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9604 -1.2800 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6592 -0.7042 1.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4706 0.7898 1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3948 1.1601 0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3521 1.9193 1.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1355 2.0847 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0636 0.0174 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4661 -0.2239 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3524 0.5342 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 0.1943 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2247 0.8875 1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8049 -0.0503 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1737 -0.3795 -0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4355 -1.1115 -1.4565 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3516 -0.0212 0.3284 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 -1.4718 -2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3136 -2.2348 -1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7481 -2.4089 -0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2901 1.0070 0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3873 -1.3843 -1.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7201 -0.6222 0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2277 -2.0680 -0.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6162 -1.9152 -2.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5469 -0.1627 -2.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9662 -1.0788 -2.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8495 -0.7546 -0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2551 -2.3370 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7489 -1.1471 1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4431 -0.9050 2.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2624 1.2551 2.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4976 1.1497 1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8486 2.6622 1.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9135 1.1852 1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7042 2.5682 0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3658 3.0448 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4933 2.3362 -1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1376 1.7590 -0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8779 0.7464 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8872 -0.9042 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9001 1.2613 1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6443 0.1674 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7963 1.8296 1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2416 0.6295 1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3253 -1.2373 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2733 -0.1672 -0.1449 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 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 2 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 11 5 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 12 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 15 46 1 0 16 47 1 0 18 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 22 52 1 0 M END