HMDB0004701 RDKit 3D 9,10-Epoxyoctadecenoic acid 53 53 0 0 0 0 0 0 0 0999 V2000 -7.1223 1.0316 0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3261 -0.0746 -0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0790 -0.9221 -0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8898 -0.0688 -0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6683 -0.9969 -0.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4911 -0.2436 -1.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4055 -0.1205 -0.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1846 -0.6991 0.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9102 0.3724 1.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6425 -0.0720 2.9854 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4134 0.6417 2.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6397 -0.1459 2.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1913 -0.2103 0.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5543 1.1547 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0998 1.0263 -1.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3386 0.1963 -1.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 0.7818 -0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7370 0.0635 -0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7078 -1.3263 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6504 -1.8701 0.2498 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8362 -2.1469 -0.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1873 0.8292 1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9370 1.0486 1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0576 1.9961 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1355 -0.7376 0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6436 0.3324 -1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8263 -1.2972 0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2137 -1.7486 -1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0734 0.4213 -1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6474 0.7098 -0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5874 -1.6518 -0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9244 -1.6867 -1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5489 0.2504 -2.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 0.4688 -1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3523 -1.4216 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0718 -1.3055 1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6313 1.2238 1.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5356 1.6436 2.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -1.2089 2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4369 0.2279 2.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1861 -0.7654 0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -0.7329 -0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 1.6855 0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6041 1.7237 0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 2.0001 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3056 0.5114 -1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1295 -0.8599 -1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6572 0.3033 -2.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1401 0.9662 0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6258 1.8184 -0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4758 0.6058 0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1937 0.0948 -1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7479 -1.8440 -0.4455 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 2 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 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 11 9 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 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 21 53 1 0 M END