Mol:FLIFHXNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 26 0 0 0 0 0 0 0 0999 V2000 -2.0088 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0088 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4525 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8962 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8962 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4525 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3399 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3399 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7725 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7725 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3673 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9621 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9621 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3673 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7725 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3399 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 -0.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4963 1.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4963 0.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4525 -0.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 9 17 1 0 0 0 0 7 18 2 0 0 0 0 16 19 1 0 0 0 0 19 17 1 0 0 0 0 8 20 1 0 0 0 0 21 1 1 0 0 0 0 15 22 1 0 0 0 0 3 23 1 0 0 0 0 S SKP 8 ID FLIFHXNS0005 KNApSAcK_ID C00009982 NAME (-)-4,9,11,12a-Tetrahydroxyrotenone CAS_RN 106915-82-6 FORMULA C16H12O7 EXACTMASS 316.058302738 AVERAGEMASS 316.26228000000003 SMILES Oc(c4)cc(O3)c(c(O)4)C(=O)C(O)(C23)c(c1)c(OC2)c(O)cc1 M END