HMDB0062295 RDKit 3D 15(R)-hydroperoxy-EPE 33 33 0 0 0 0 0 0 0 0999 V2000 -5.1639 0.7177 0.4749 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 -0.0608 0.3605 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.2473 -1.5033 0.6279 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 0.5262 1.5872 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1903 0.1498 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9366 -0.5216 -1.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7389 -0.3510 -0.9705 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4199 -0.8765 0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3793 0.0273 1.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 0.6162 0.4923 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 0.2558 1.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 0.7718 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0474 0.3201 1.3772 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4918 0.5206 -0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0689 0.7703 -1.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4412 0.7886 2.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1042 1.2677 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0192 -0.1431 -1.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1791 -1.6533 -1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8322 -0.3843 -2.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -1.3105 0.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2596 -1.7862 0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2191 0.8725 1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -0.5363 2.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6236 0.6646 2.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7328 -0.8467 1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 1.8859 0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2009 0.4751 -0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1431 -0.6646 1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0497 1.3963 -1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8399 -0.4221 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0237 0.9213 -2.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2843 1.6518 -0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 10 14 1 0 14 15 1 0 15 7 1 0 4 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 11 25 1 0 11 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 15 32 1 0 15 33 1 0 M END