HMDB0296970 RDKit 3D DG(18:1(12Z)-O(9S,10R)/0:0/2:0) 69 69 0 0 0 0 0 0 0 0999 V2000 9.1357 0.6287 -1.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6099 -0.6817 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4380 -0.6248 0.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1310 -0.3430 1.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0077 -1.2622 1.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 -1.4222 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3497 -1.0769 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3308 -0.4903 0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0767 -1.3464 0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0323 -0.8886 1.0485 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8111 -0.9204 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7148 0.4302 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4852 0.8745 -1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7855 0.9704 -0.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2512 -0.3266 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6115 -0.2196 0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5139 0.7077 1.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8215 0.7973 2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8645 1.3640 1.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6715 1.7749 0.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1492 1.4301 1.9082 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2788 1.9139 1.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7517 1.1734 0.0639 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8365 1.1315 -0.9533 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1317 -0.2617 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6774 -0.8585 -0.7366 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8048 -0.4799 -1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2195 -1.2508 -2.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4779 0.4933 -1.0248 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1060 0.5507 -1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8115 0.8849 -2.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1023 1.4139 -0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7769 -0.6895 -0.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2469 -1.5105 -1.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1522 0.1760 1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8968 -1.5610 1.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7699 0.6900 0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1971 -0.2070 2.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1867 -0.9587 1.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 -2.3084 1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -1.8966 -0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1441 -1.2566 -1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 0.4619 -0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 -0.1207 1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2845 -2.4218 0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 -1.7628 -0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0281 1.2248 -0.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5461 0.5324 -1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6804 1.8912 -2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2674 0.2449 -2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8121 1.8024 -0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5762 1.2930 -1.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5549 -0.7512 0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4054 -1.0972 -1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2904 0.1607 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9468 -1.2375 0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6811 0.4094 2.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2613 1.7333 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6729 1.4313 3.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1458 -0.2218 2.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1067 1.9925 2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0707 2.9830 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6746 1.6912 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1938 0.5610 -1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8070 -0.2910 1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1782 -0.7986 0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7343 -0.8395 -3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2984 -1.1139 -2.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9366 -2.3202 -2.5346 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 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 2 0 11 9 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 14 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 16 55 1 0 16 56 1 0 17 57 1 0 17 58 1 0 18 59 1 0 18 60 1 0 22 61 1 0 22 62 1 0 23 63 1 6 24 64 1 0 25 65 1 0 25 66 1 0 28 67 1 0 28 68 1 0 28 69 1 0 M END