Mol:FL63AANM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.4428 0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9936 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9936 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 0.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4096 0.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9769 1.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4096 2.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 1.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5438 0.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4428 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 2.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4428 -1.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 -1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -1.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -1.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -2.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7598 -0.4159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 10 1 6 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 2 16 1 0 0 0 0 3 17 2 0 0 0 0 17 4 1 0 0 0 0 13 18 1 0 0 0 0 17 19 1 0 0 0 0 6 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 7 24 1 6 0 0 0 S SKP 8 ID FL63AANM0001 KNApSAcK_ID C00009316 NAME 3'-Deoxydryopteric acid CAS_RN 156521-53-8 FORMULA C17H16O7 EXACTMASS 332.089602866 AVERAGEMASS 332.30474 SMILES OC(=O)CC(C(O)1)c(c(O)3)c(cc(O)c3)OC(c(c2)ccc(O)c2)1 M END