HMDB0004238 RDKit 3D Delta-12-Prostaglandin J2 54 54 0 0 0 0 0 0 0 0999 V2000 -6.3048 1.0460 -2.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4621 -0.0844 -3.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9974 0.1004 -3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7672 0.1843 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3025 0.3718 -1.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1991 0.4409 0.3154 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9339 1.4985 0.8474 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7275 0.5786 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7663 0.6344 2.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -0.1259 3.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1696 -0.0509 4.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7972 0.8526 5.1499 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5851 -1.1675 5.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1098 -1.8418 4.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7885 -1.1972 2.7434 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2025 -0.5955 2.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2748 0.3651 1.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9522 0.2161 0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7545 -0.9689 -0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2150 -0.6321 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4822 0.3495 -1.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0681 -0.0340 -2.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5436 -1.1264 -2.9857 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2725 0.8781 -3.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1239 1.9751 -3.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3727 0.7652 -2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2481 1.1634 -1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6606 -0.1393 -4.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8532 -1.0193 -2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4846 -0.8250 -3.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6193 0.9723 -3.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1463 -0.7602 -1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3056 1.0334 -1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 -0.5112 -1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9491 1.3108 -1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6435 -0.4942 0.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 1.2042 0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 1.5221 0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1576 -0.2782 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 1.3863 2.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7073 -1.4249 6.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7205 -2.7645 4.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5051 -1.9185 1.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -0.0058 3.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9274 -1.4526 2.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7531 1.3313 1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9311 1.0356 -0.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -1.4388 -1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -1.7749 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7023 -0.2939 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7141 -1.6065 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0838 1.3527 -1.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6045 0.4797 -1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0838 1.4840 -3.7443 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 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 15 10 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 1 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 13 41 1 0 14 42 1 0 15 43 1 6 16 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 20 51 1 0 21 52 1 0 21 53 1 0 24 54 1 0 M END