Mol:BMMCACXXo005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 13 13 0 0 1 0 0 0 0 0999 V2000 -1.5461 -0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0331 -0.8692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2601 -0.5810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2953 0.2432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0901 0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2466 -1.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5368 -0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4191 0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1336 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6327 1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5461 -0.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7503 -1.5914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4295 1.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 4 0 0 0 5 1 1 0 0 0 0 2 6 1 4 0 0 0 3 7 1 4 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 7 12 2 0 0 0 0 10 13 2 0 0 0 0 S SKP 6 ID BMMCACXXo005 NAME Iridotrial FORMULA C10H14O3 EXACTMASS 182.0942 AVERAGEMASS 182.2163 SMILES O=CC(C=O)[C@@H](C1)[C@H](C=O)[C@@H](C)C1 M END