HMDB0061706 RDKit 3D 12-Hydroxystearic acid 57 56 0 0 0 0 0 0 0 0999 V2000 -6.6608 1.3473 -1.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9670 1.6417 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7187 1.3904 0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3202 -0.0598 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0439 -0.2678 1.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6124 -1.6915 0.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4389 -2.1476 1.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3404 -3.5860 1.4169 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0749 -1.6967 1.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7323 -0.2806 1.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7388 0.0128 1.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2376 -0.3959 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7544 -0.0274 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1973 -0.4554 -1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5795 -0.3248 -1.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2693 0.9622 -1.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4269 1.7212 -0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1513 0.9312 0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5146 0.5943 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 0.9938 -1.1369 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2944 -0.2140 0.7375 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2732 1.9995 -2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6005 1.5648 -2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9041 0.3002 -2.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8040 0.9698 -0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3169 2.6879 -0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8902 1.5958 1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9423 2.0826 0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1247 -0.7253 0.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0757 -0.2424 -0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3401 0.4986 0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3847 -0.0459 2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6304 -2.0082 -0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5004 -2.2903 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6227 -2.1630 2.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2325 -3.9735 1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7736 -2.0366 0.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4162 -2.2852 2.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2078 0.2539 0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1295 0.1943 2.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3015 -0.5438 2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9611 1.0878 1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1855 -1.4533 -0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7862 0.1739 -0.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 -0.6140 0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 1.0206 0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9381 -1.5738 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5134 0.0528 -2.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 -0.8150 -2.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2343 -1.0800 -1.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 1.6064 -2.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2674 0.8412 -2.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5448 2.1938 -0.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1337 2.6115 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5839 -0.0121 0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1331 1.4479 1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9135 0.2314 1.4058 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 7 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 15 50 1 0 16 51 1 0 16 52 1 0 17 53 1 0 17 54 1 0 18 55 1 0 18 56 1 0 21 57 1 0 M END