Mol:FL7DAAGO0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.0465 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0465 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4902 -0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0661 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0661 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4902 1.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6224 -0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1787 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1787 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6224 1.2067 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.7348 1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8687 1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8687 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 2.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7348 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 2.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6026 1.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4902 -0.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3434 -1.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6009 -1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8845 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4051 -0.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1636 -1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4356 -1.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1472 -1.8023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1755 -2.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4591 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7446 -0.8234 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 19 1 0 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 ^CH2OH M SBV 1 32 -5.4011 5.5910 S SKP 8 ID FL7DAAGS0001 KNApSAcK_ID C00006620 NAME Gesnerin CAS_RN 19045-96-6 FORMULA C21H21O9 EXACTMASS 417.11855727 AVERAGEMASS 417.38604 SMILES C(C1Oc(c4)c(c(cc(O)4)3)ccc([o+1]3)c(c2)ccc(O)c2)(O)C(O)C(O)C(O1)CO M END