HMDB0002019 RDKit 3D Phytol 61 60 0 0 0 0 0 0 0 0999 V2000 5.2405 2.8465 -0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4064 1.4727 0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 1.0812 0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7854 1.9639 0.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7578 1.3432 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 0.4545 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 0.2068 -1.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7184 -0.7464 -1.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3442 -0.6530 -0.7365 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3844 -0.8589 0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 -1.6552 -1.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9246 -1.7093 -1.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3727 -2.0156 0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9222 -2.0922 0.2581 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4388 -3.1348 -0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4945 -0.7083 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9960 -0.7973 0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7248 0.4507 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5435 1.6225 0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1929 2.2281 0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1263 1.3597 2.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2055 3.1172 -0.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5808 3.5632 0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8847 2.9977 -1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7387 0.0615 1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1697 1.9454 1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5677 2.9877 0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9577 0.4660 0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 1.0123 0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6676 -0.4405 0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4273 1.2294 -1.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -0.0173 -1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0734 -1.8051 -1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5001 -0.6927 -2.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 0.3838 -0.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4107 -0.8482 1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -0.0808 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9253 -1.8565 1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6761 -1.5825 -2.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9156 -2.7141 -1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4527 -2.4012 -1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.6821 -1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1765 -1.1838 0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0434 -2.9749 0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1689 -2.4007 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 -3.9494 -0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5705 -2.7128 -1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3893 -3.5641 -0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1606 -0.0667 0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1859 -0.2865 -0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2904 -1.2950 1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2647 -1.5718 -0.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5156 0.7903 -1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8429 0.2114 -0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2341 2.4312 0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7318 1.9925 1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2873 3.3724 0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4962 2.0021 -0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4704 2.3074 2.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3308 0.9349 2.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9698 0.6612 1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 2 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 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 1 10 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 1 15 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 20 58 1 0 21 59 1 0 21 60 1 0 21 61 1 0 M END