Mol:FL6DA9NP0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.3610 0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8047 -0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2484 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2484 0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8047 0.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3079 -0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8642 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8642 0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3079 0.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9873 0.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5543 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5543 1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9873 1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3079 -1.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3281 -1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8047 1.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9173 1.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9173 0.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4082 1.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5543 0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2128 -1.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 -1.4773 0.0000 C 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 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 9 11 1 6 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 7 17 1 1 0 0 0 8 18 1 1 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 1 1 0 0 0 0 21 23 1 0 0 0 0 21 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 -8.4475 3.6938 S SKP 8 ID FL6DA9NP0001 KNApSAcK_ID C00009025 NAME Quercetol A CAS_RN 119061-05-1 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES COc(c24)cc(O1)c(c(OC(C(C4O)O)c(c3)cccc3)2)C=CC(C)(C)1 M END
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