HMDB0062798 RDKit 3D 5-hydroperoxy-15-HETE 57 56 0 0 0 0 0 0 0 0999 V2000 -7.3241 0.3425 -2.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5095 -0.4348 -0.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4455 -0.0187 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1058 -0.3299 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 0.0566 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6954 -0.3073 -0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7461 -1.6881 -0.5005 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4648 -0.1254 0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2235 0.4688 1.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9649 1.1165 2.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1881 1.1875 3.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4074 0.5969 3.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4855 -0.1787 1.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1902 0.0667 0.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0106 1.2317 0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7328 1.5178 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7998 0.6886 -1.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2459 0.4550 -2.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0494 -0.2323 -0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5143 -1.5831 -0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3237 -2.2413 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0094 -3.4748 0.6442 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3317 -1.6882 1.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0898 1.2545 -2.6628 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1732 0.4195 -3.1193 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7677 1.2788 -1.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8056 -0.2656 -2.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3144 0.6132 -2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3127 -1.5211 -1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5330 -0.3249 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5206 1.0712 0.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5919 -0.5746 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0419 -1.4414 -0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9741 0.2087 -1.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0826 1.1435 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1069 -0.5461 1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5914 0.2873 -1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1588 -1.7834 -1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6027 -0.6405 0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5608 0.7864 1.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7907 1.6702 3.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 1.7671 4.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -0.0409 3.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1818 1.4280 3.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8941 -1.1294 1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0936 -0.6731 -0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0496 1.9346 1.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3282 2.4657 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 -0.3025 -1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3013 -0.0908 -2.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6861 1.4701 -2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0746 -0.3926 -1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2266 0.3982 -0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4406 -1.5333 -0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5521 -2.2065 -1.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0047 -2.3119 1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3757 0.9170 -3.4376 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 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 17 24 1 0 24 25 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 7 38 1 0 8 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 14 46 1 0 15 47 1 0 16 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 19 52 1 0 19 53 1 0 20 54 1 0 20 55 1 0 23 56 1 0 25 57 1 0 M END