Mol:FLIDBANI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -2.0044 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 1.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -0.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 0.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 0.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5607 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9647 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9647 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3729 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5565 -2.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8845 0.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 0.3271 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 14 18 1 0 0 0 0 1 19 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 3 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 28 M SMT 1 OCH3 M SBV 1 28 -5.5511 3.4563 S SKP 8 ID FLIDBANI0001 KNApSAcK_ID C00009654 NAME 1-Methoxyphaseollidin;3,9-Dihydroxy-1-methoxy-10-prenylpterocarpan CAS_RN 65428-13-9 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES COc(c21)cc(O)cc1OCC(c34)C2Oc3c(CC=C(C)C)c(cc4)O M END
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