HMDB0259855 RDKit 3D Vitamin K-d7 (5,6,7,8-d4, 2-methyl-d3) 79 80 0 0 0 0 0 0 0 0999 V2000 1.8739 -0.2495 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8141 0.7397 -0.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0456 0.7384 -1.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1482 1.5780 -0.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2655 0.7283 -0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6703 0.8523 0.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0536 1.8325 1.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7700 -0.0070 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1339 0.1377 2.5949 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4101 -0.9852 0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4291 -1.7907 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0270 -2.7123 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6181 -2.8606 -1.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5919 -2.0515 -1.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 -1.1198 -0.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9045 -0.2543 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5421 -0.4035 -2.4389 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3985 1.6149 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8385 0.9151 1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6161 0.1638 1.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7369 0.8274 1.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9741 1.5448 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7514 -0.2480 1.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1671 0.0664 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8589 0.5404 0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3632 0.7048 0.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4806 1.7152 1.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1328 1.2200 -0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0931 0.3316 -1.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6526 -1.0351 -1.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0981 -1.0174 -0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5212 -2.4655 -0.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0083 -0.4709 -2.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 0.1247 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1944 -0.3105 -2.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0372 -1.2520 -1.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 0.0251 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6112 2.0179 -1.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9304 2.3900 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6964 1.9178 2.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0246 2.8340 1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0777 1.4723 2.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7580 -1.6816 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8316 -3.3426 0.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0870 -3.5850 -1.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2196 -2.1141 -2.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4002 2.0476 0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9212 2.5665 -0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8126 1.6668 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6819 0.1846 1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5922 -0.6805 0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6124 -0.4472 2.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8742 1.5750 2.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 0.8540 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5646 2.4754 0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0671 1.9018 -0.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4788 -0.5819 2.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4927 -1.1891 0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7607 -0.8621 1.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3562 0.7703 2.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7929 -0.2512 -0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5404 1.4813 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6704 -0.2659 1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5432 2.0792 1.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3139 1.2771 2.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8658 2.6188 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6515 2.1945 -0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1614 1.4643 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6368 0.8491 -2.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0438 0.2131 -1.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0162 -1.6229 -0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6460 -1.5669 -2.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2374 -0.4005 -0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6301 -3.1092 -0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2195 -2.8220 -1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0534 -2.5195 0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6152 0.3947 -2.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9837 -0.2472 -1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2765 -1.3196 -2.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 2 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 2 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 16 5 1 0 15 10 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 7 40 1 0 7 41 1 0 7 42 1 0 11 43 1 0 12 44 1 0 13 45 1 0 14 46 1 0 18 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 21 53 1 0 22 54 1 0 22 55 1 0 22 56 1 0 23 57 1 0 23 58 1 0 24 59 1 0 24 60 1 0 25 61 1 0 25 62 1 0 26 63 1 0 27 64 1 0 27 65 1 0 27 66 1 0 28 67 1 0 28 68 1 0 29 69 1 0 29 70 1 0 30 71 1 0 30 72 1 0 31 73 1 0 32 74 1 0 32 75 1 0 32 76 1 0 33 77 1 0 33 78 1 0 33 79 1 0 M END