HMDB0038520 RDKit 3D 2-Hydroxy-6-tridecylbenzoic acid 55 55 0 0 0 0 0 0 0 0999 V2000 6.1993 -1.2690 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9376 -1.2342 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1226 -0.3533 -0.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4592 1.0673 -0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3894 1.7397 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0584 1.7650 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0428 2.4411 0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 2.5074 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1298 1.1456 -0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0261 0.2954 0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5782 -1.0672 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 -1.0208 -0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9563 -0.3388 0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2891 -0.3340 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6707 0.8078 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8571 0.8814 -1.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6917 -0.2109 -1.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3278 -1.3146 -0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1969 -2.3947 -0.7112 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1155 -1.4225 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8465 -2.6264 0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8245 -2.8201 1.3698 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8112 -3.6407 0.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 -2.3312 1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0214 -0.9041 2.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0145 -0.7059 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0752 -0.8690 0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6505 -2.2442 -0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2352 -0.4214 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9658 -0.7824 -1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.1210 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5671 1.6163 -1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2669 1.2451 1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 2.7901 0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1497 2.3568 -1.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7067 0.7393 -0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0133 1.9603 1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3641 3.5049 0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0149 3.1504 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8405 3.0186 -1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 1.2806 -1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7745 0.6555 -1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 0.7656 1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9733 0.1343 1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5962 -1.7195 1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1386 -1.5753 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2599 -2.0475 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8611 -0.4757 -1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9483 -0.8272 1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5974 0.7350 0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9451 1.6167 -0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0931 1.7791 -2.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6441 -0.1745 -1.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0776 -2.3727 -1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6539 -3.6226 1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 20 14 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 15 51 1 0 16 52 1 0 17 53 1 0 19 54 1 0 23 55 1 0 M END