Mol:FL7AACGO0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.0434 0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0434 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9308 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9308 0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 0.9310 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.7379 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8719 0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8719 1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 1.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 1.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4387 1.9128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 0.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 -0.9959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -0.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 2.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5503 -1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1786 -2.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1786 -0.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5503 -0.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7496 -0.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -0.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7117 -2.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -2.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 -1.6623 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 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 8 20 1 0 0 0 0 15 21 1 0 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 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 20 26 1 0 0 0 0 S SKP 8 ID FL7AACGS0003 KNApSAcK_ID C00006653 NAME Cyanidin 3-rhamnoside CAS_RN 38533-30-1 FORMULA C21H21O10 EXACTMASS 433.113471892 AVERAGEMASS 433.38544 SMILES c(c(O)4)c(O)c(c(c4)2)cc(c(c(c3)cc(c(O)c3)O)[o+1]2)OC(O1)C(O)C(O)C(O)C(C)1 M END
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