HMDB0003871 RDKit 3D 13-L-Hydroperoxylinoleic acid 54 53 0 0 0 0 0 0 0 0999 V2000 -7.0755 0.1669 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3418 1.4230 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1865 1.3343 0.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9985 0.5385 0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2859 -0.8925 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0454 -1.7005 -0.4013 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0019 -1.7004 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -0.6909 0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0469 -0.6603 1.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8762 0.2764 1.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 1.3832 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0731 1.4824 -0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3903 1.7406 0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9871 0.7494 1.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1038 -0.6293 0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 -0.6859 -0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3840 -0.2655 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0761 -0.4073 -1.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6148 0.1986 -2.5747 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1843 -1.1948 -1.6783 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5235 -3.0275 -0.5425 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4071 -3.4443 -1.7816 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9545 -0.2145 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1972 0.4090 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9276 -0.5952 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0817 2.1239 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1011 2.0058 -1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5674 0.8990 1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8281 2.3788 0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2202 0.6942 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5766 1.0380 -0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8981 -0.9642 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7851 -1.3376 0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6895 -1.3885 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8843 -2.4433 1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2111 0.0480 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0141 -1.4695 2.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5974 0.1771 2.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0309 1.4281 0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 2.3353 1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1808 0.5133 -0.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9051 2.2868 -0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1567 1.9553 -0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3616 2.7397 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5865 0.7710 2.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0955 1.1043 1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1028 -1.0287 0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5555 -1.2763 1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 -0.0705 -1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9744 -1.7556 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4267 0.8202 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8974 -0.8305 0.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8522 -1.2018 -2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5681 -3.1456 -2.2047 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 2 0 8 9 1 0 9 10 2 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 2 0 18 20 1 0 6 21 1 0 21 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 6 7 35 1 0 8 36 1 0 9 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 20 53 1 0 22 54 1 0 M END