Mol:FL7DACGO0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.9331 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9331 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3768 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1795 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1795 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3768 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7358 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2921 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2921 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7358 0.8382 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.8482 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4152 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9822 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9822 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4152 1.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8482 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 1.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4892 0.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3768 -1.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9725 -1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4569 -2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7144 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9979 -1.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5185 -1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -1.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2607 -2.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 -2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4152 2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5725 -0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8581 -1.1094 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 15 29 1 0 0 0 0 25 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 ^CH2OH M SBV 1 33 -5.2876 5.2225 S SKP 8 ID FL7DACGS0001 KNApSAcK_ID C00006623 NAME Luteolinidin 5-glucoside CAS_RN 13089-93-5 FORMULA C21H21O10 EXACTMASS 433.113471892 AVERAGEMASS 433.38544 SMILES C(C1Oc(c4)c(c(cc(O)4)3)ccc([o+1]3)c(c2)cc(c(O)c2)O)(O)C(O)C(O)C(O1)CO M END
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