HMDB0241819 RDKit 3D (4Z)-6-[(1R,4S,5S,6R)-6-[(1E,3S,5Z,8Z)-3-Hydroperoxyundeca-1,5,8-trien-1-yl]-... 83 84 0 0 0 0 0 0 0 0999 V2000 10.5728 -0.5589 2.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9853 -0.2196 1.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7311 -1.4766 0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5597 -1.8649 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3271 -1.0782 0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6898 -0.7212 -1.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4885 -1.0592 -1.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5567 -1.8549 -0.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2529 -1.0597 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 -0.6887 -1.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0854 0.3963 -2.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9335 1.7565 -1.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4387 2.1859 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3366 1.6657 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 2.5733 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9463 3.7653 0.0321 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 3.5761 -0.2341 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4386 2.1628 -1.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4492 1.0249 -1.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8754 1.4712 -1.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2837 2.6954 -1.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7159 3.0708 -1.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6868 1.9733 -1.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6552 0.9173 -0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9138 1.0646 0.2503 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3968 -0.2306 -0.8369 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3797 -1.2646 0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8276 -2.5144 -0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7108 -3.6489 0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9264 -3.5250 1.6337 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3399 -4.9050 -0.1225 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.7673 -1.5450 0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4599 -0.4263 1.2285 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.5611 -0.9156 2.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1121 0.3192 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6526 0.4165 2.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4809 -2.0036 0.3483 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3227 -1.5400 1.5678 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2774 -1.4141 2.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7596 -0.9057 3.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1191 0.3230 2.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8357 0.2876 0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1846 0.4865 1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6388 -2.1056 0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5198 -2.8490 -0.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6765 -1.7078 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4609 -0.1356 0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.1060 -1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1056 -0.7359 -2.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9312 -2.1522 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2214 -2.7800 -1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4836 -0.2050 0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5052 -1.5820 -2.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6539 0.2400 -3.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3634 2.4153 -2.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 1.9617 -0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0817 0.6185 0.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4702 1.9611 1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6784 2.4600 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2515 3.0171 -2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3576 0.1479 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2654 0.7786 -3.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6655 0.7240 -2.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5694 3.5184 -1.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9326 3.9476 -2.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8944 3.4453 -0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6304 1.5467 -2.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7169 2.4235 -1.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7186 -0.9856 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7858 -2.3141 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4916 -2.7713 -1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7610 -2.3454 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3880 -1.9398 -0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2507 -0.0569 2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0860 -1.7430 1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2045 -1.1884 3.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1835 0.0300 0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1107 1.3817 0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6555 0.2279 -0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2849 0.7973 2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8109 -0.1500 2.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3573 1.3382 1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -1.8384 2.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 19 20 1 0 20 21 2 3 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 27 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 9 37 1 0 37 38 1 0 18 12 1 0 17 13 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 2 43 1 0 3 44 1 0 4 45 1 0 5 46 1 0 5 47 1 0 6 48 1 0 7 49 1 0 8 50 1 0 8 51 1 0 9 52 1 0 10 53 1 0 11 54 1 0 12 55 1 0 13 56 1 0 14 57 1 0 14 58 1 0 15 59 1 0 18 60 1 0 19 61 1 0 19 62 1 0 20 63 1 0 21 64 1 0 22 65 1 0 22 66 1 0 23 67 1 0 23 68 1 0 27 69 1 0 28 70 1 0 28 71 1 0 32 72 1 0 32 73 1 0 34 74 1 0 34 75 1 0 34 76 1 0 35 77 1 0 35 78 1 0 35 79 1 0 36 80 1 0 36 81 1 0 36 82 1 0 38 83 1 0 M CHG 2 31 -1 33 1 M END