HMDB0241873 RDKit 3D (5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl... 80 80 0 0 0 0 0 0 0 0999 V2000 8.0207 -2.2158 3.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0396 -1.3259 2.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3566 -2.1491 1.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3991 -1.9444 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1381 -0.8599 0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1773 0.0394 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0034 1.0281 -1.2958 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1485 0.5969 0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0099 1.0727 -0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2976 1.2577 -1.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8628 0.8252 -2.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 1.6717 -3.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3556 -0.5694 -3.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 -0.8518 -2.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7831 -1.7643 -1.0501 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9979 0.4436 -1.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8457 1.1970 -1.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4098 0.4582 -1.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4959 0.8712 -1.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7036 2.1457 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8133 2.9604 -1.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1259 2.2236 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6032 1.8597 0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0268 2.1207 1.2447 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8156 1.1513 0.2995 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3077 0.7775 1.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6883 1.3824 1.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6656 0.9194 0.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4529 1.0414 -0.4189 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8552 0.3306 1.2125 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.5128 -0.7136 1.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3453 -1.4986 1.3439 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.0986 -1.5618 -0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6317 -2.8381 1.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1476 -1.0278 1.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9057 -2.3553 3.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2739 -1.7992 4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5308 -3.1954 3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 -0.4315 2.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2675 -0.9872 3.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7555 -3.0174 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8477 -2.6257 0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7739 -1.3276 -0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7959 -0.2955 0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 -0.6313 -1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7140 1.8827 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 0.6098 1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3894 1.4515 0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9957 2.3655 -1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 0.9431 -2.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.6070 -3.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1572 -1.3278 -3.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9134 -0.6219 -4.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -1.3488 -2.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0337 -1.7808 -0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8145 0.2672 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0844 1.3843 -3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 2.1769 -1.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4606 -0.5442 -2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3806 0.1894 -1.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8682 1.9572 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 2.7892 -0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9766 3.9107 -0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5440 3.2567 -2.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9106 2.8111 -1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9996 1.3023 -1.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6023 1.0839 2.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0155 1.0430 2.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6467 2.4909 1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9622 -1.0547 2.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2433 -0.9182 0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2128 -0.9688 -0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9783 -1.2838 -0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8092 -2.6370 -0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7034 -3.5087 0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5778 -2.8631 2.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8355 -3.1459 2.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3371 -0.4264 2.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4296 -0.5399 1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5797 -1.9404 2.3371 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 1 0 6 8 1 0 8 9 2 3 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 3 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 26 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 16 10 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 2 40 1 0 3 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 7 46 1 0 8 47 1 0 9 48 1 0 10 49 1 0 11 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 15 55 1 0 16 56 1 0 17 57 1 0 17 58 1 0 18 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 21 63 1 0 21 64 1 0 22 65 1 0 22 66 1 0 26 67 1 0 27 68 1 0 27 69 1 0 31 70 1 0 31 71 1 0 33 72 1 0 33 73 1 0 33 74 1 0 34 75 1 0 34 76 1 0 34 77 1 0 35 78 1 0 35 79 1 0 35 80 1 0 M CHG 2 30 -1 32 1 M END