Mol:FL5FCCGL0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.1637 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1637 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7348 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7348 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0203 -0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6941 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6941 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0203 1.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0203 -0.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 1.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8646 1.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8646 2.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 2.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 2.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 3.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5927 2.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8782 1.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5927 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3748 -2.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7873 -2.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -1.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9582 -3.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7467 -2.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -0.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6197 -0.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0009 -2.9362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9603 -3.5737 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 8 31 1 0 0 0 0 3 18 1 0 0 0 0 16 19 1 0 0 0 0 15 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 26 31 1 0 0 0 0 25 32 1 0 0 0 0 24 33 1 0 0 0 0 30 34 1 0 0 0 0 S SKP 8 ID FL5FCCGL0001 KNApSAcK_ID C00005506 NAME Rhamnetin 3-glucoside CAS_RN 27875-34-9 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES c(c(C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)OC(O2)C(O)C(C(C(CO)2)O)O)1)cc(c(c1)O)O M END
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