HMDB0012798 RDKit 3D 5'-Carboxy-alpha-chromanol 51 52 0 0 0 0 0 0 0 0999 V2000 -4.1410 -2.4570 -1.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4913 -1.2448 -0.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1535 -1.0755 -0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2729 -2.0810 -1.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6053 0.0878 -0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3934 1.0499 0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7248 0.8740 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5025 1.9475 1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3039 -0.2904 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6448 -0.5164 0.0497 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 2.2451 0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4784 1.7592 1.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4807 1.0786 0.5458 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2159 2.1951 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2362 0.0896 1.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 -0.7895 0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3643 -0.0575 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3436 -1.1044 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8066 -1.9287 0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 -0.3718 -1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 -0.4857 -0.7031 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1389 0.4616 -2.1447 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2654 0.3915 -0.4273 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8087 -2.1859 -2.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7797 -2.9390 -0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4183 -3.2129 -1.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5732 -2.2358 -2.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2321 -1.7060 -1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3116 -3.0637 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1678 2.9247 0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5753 1.8683 0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 1.9565 2.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3085 0.0872 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4077 2.9006 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3234 2.8832 1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 1.0122 2.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 2.6100 1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 3.1413 0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1688 2.4776 0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3855 2.1323 -1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7517 0.6196 2.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4967 -0.5664 1.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7078 -1.3831 1.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8256 -1.6054 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8847 0.5312 0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0903 0.6435 -0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7906 -1.6766 -1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7512 -1.3163 1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8249 -2.3415 0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1068 -2.7741 0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2983 1.4412 -2.1762 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 6 11 1 0 11 12 1 0 12 13 1 0 13 14 1 6 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 20 22 1 0 13 23 1 0 9 2 1 0 23 5 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 4 28 1 0 4 29 1 0 8 30 1 0 8 31 1 0 8 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 14 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 19 50 1 0 22 51 1 0 M END