Mol:FL4DA9NN0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -2.5146 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9937 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4728 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4728 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9937 0.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5146 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9519 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4311 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4311 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9519 0.9629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9519 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9937 -0.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0213 0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1486 0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2061 0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2061 1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1486 1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2888 -0.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1371 -1.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1554 -1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7944 -1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 -1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7146 -1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 -1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7146 -0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 -0.8149 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 6 13 1 0 0 0 0 8 14 1 1 0 0 0 9 15 1 6 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 14 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 S SKP 8 ID FL4DA9NN0001 KNApSAcK_ID C00008735 NAME Pinobanksin 3-cinnamate CAS_RN 110065-73-1 FORMULA C24H18O6 EXACTMASS 402.110338308 AVERAGEMASS 402.39612 SMILES Oc(c31)cc(cc1OC(C(OC(=O)C=Cc(c4)cccc4)C3=O)c(c2)cccc2)O M END