HMDB0061661 RDKit 3D 9-hydroxyoctadecanoic acid 57 56 0 0 0 0 0 0 0 0999 V2000 7.4299 -1.3710 1.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0449 -1.8958 0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7464 -0.7133 -0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 0.0811 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2392 1.2706 -0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1116 2.0375 -0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8434 1.2168 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 0.7072 -1.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0973 -0.1341 -1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0568 0.5512 -0.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 0.9657 0.8166 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3128 -0.3146 -0.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4007 0.5295 0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7052 -0.2347 0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7250 0.6496 0.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0746 0.0280 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6413 -0.3379 -0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0244 -0.9749 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5070 -1.3031 -1.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0382 -2.2660 -2.1039 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5049 -0.5399 -2.0339 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1194 -0.5322 1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4796 -1.0974 2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8889 -2.2176 2.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7525 -2.6012 -0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0821 -2.4650 0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4101 -1.0900 -1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6265 -0.0455 -0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7096 -0.5460 0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9495 0.4604 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9438 1.0231 -1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1253 1.9636 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4416 2.2915 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9063 2.9920 -0.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 0.4025 0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1491 1.9273 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0832 1.5190 -1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1462 0.1182 -1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3064 -1.1366 -0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8005 -0.4216 -2.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3067 1.4536 -1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2527 1.8198 1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1481 -1.1808 0.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6123 -0.6622 -1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0945 0.8035 1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5331 1.4701 -0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6124 -1.1529 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0584 -0.5463 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3459 0.9635 1.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7825 1.5854 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7454 0.7821 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0351 -0.8269 1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0242 -1.0615 -0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8110 0.6113 -0.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6656 -0.2321 0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9662 -1.8707 0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5883 -0.4523 -3.0471 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 10 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 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 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