Mol:FLID1CNF0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 30 0 0 0 0 0 0 0 0999 V2000 -2.0196 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0196 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4633 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4633 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 -0.4138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2056 -0.0927 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2056 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9512 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9512 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3449 -1.1003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6306 0.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0081 0.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6306 -0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 -1.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0081 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 -0.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1853 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7488 2.3436 0.0000 C 0 0 0 0 0 0 0 0 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 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 16 1 0 0 0 0 16 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 2 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 15 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 -1.1853 1.4439 S SKP 8 ID FLID1CNF0003 KNApSAcK_ID C00009646 NAME Ficinin;4-Methoxyneodulin CAS_RN 10338-03-1 FORMULA C19H14O6 EXACTMASS 338.07903818 AVERAGEMASS 338.31086000000005 SMILES c(c56)c(O4)c(cc5OCO6)C(C41)COc(c3OC)c(cc(c32)cco2)1 M END
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