HMDB0040900 RDKit 3D (±)-(E)-13-Hydroxy-10-oxo-11-octadecenoic acid 54 53 0 0 0 0 0 0 0 0999 V2000 -8.7977 -0.5384 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3505 -0.0787 0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6840 -1.0184 1.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3276 -0.6933 1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 -0.5689 0.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1471 0.4487 -0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2511 1.7665 0.3499 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6869 0.4278 -0.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7981 0.8788 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3871 0.9101 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4147 1.3495 0.7387 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 0.4229 -1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 0.4317 -1.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1453 -0.4936 -0.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6592 -0.3939 -0.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3677 -1.2978 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8501 -1.2525 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3995 0.1181 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8707 0.2542 -0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6593 -0.5677 0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1305 -1.2587 1.5291 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0522 -0.5927 0.5608 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1031 0.0561 -0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4457 -0.3634 1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7189 -1.6012 -0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8668 -0.1469 -0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4533 0.9442 0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3356 -1.0657 2.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7496 -2.0882 1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0014 -1.4624 2.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3873 0.2425 2.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2642 -0.3882 1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -1.5594 0.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7859 0.3450 -1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5629 2.3461 -0.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4414 0.0679 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0933 1.2334 1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3615 -0.6375 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4768 1.0344 -2.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8921 1.4692 -1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 0.1133 -2.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0137 -0.1950 0.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -1.5416 -0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8845 0.6901 -0.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8315 -0.6231 -2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9571 -2.3202 -0.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1011 -0.9849 1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3202 -2.0397 0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9796 -1.6162 -1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8676 0.7750 -0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1666 0.4427 0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 -0.0348 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1847 1.3137 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 0.0003 1.1331 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 1 0 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 19 52 1 0 19 53 1 0 22 54 1 0 M END