HMDB0032827 RDKit 3D Peroxyoctanoic acid 27 26 0 0 0 0 0 0 0 0999 V2000 -3.7394 1.0374 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5818 0.7247 0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6497 -0.2336 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 -0.5750 0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4754 -1.5201 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0994 -1.0567 -1.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9029 0.1872 -0.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0619 0.1327 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3573 -0.8751 0.6037 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8289 1.2874 0.0562 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8977 1.3576 0.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2366 1.9907 0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4464 1.0157 -1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4982 0.2431 -0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0418 1.6687 0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 0.2750 1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3051 0.2387 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2346 -1.1292 -0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0365 0.3797 1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -1.0535 1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 -2.4724 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2666 -1.8255 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7161 -1.8396 -1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2733 -0.8532 -1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2802 1.0910 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 0.3424 -1.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.4619 1.8108 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 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 11 27 1 0 M END