Mol:FL5FABGP0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 37 41 0 0 0 0 0 0 0 0999 V2000 -2.1833 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 0.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 -0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 0.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 1.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 -0.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 0.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -0.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5136 -1.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1418 -1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9424 -0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1418 -0.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5136 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4832 -0.5331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6749 -1.8371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 -2.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5627 -1.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1526 2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6782 1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6782 1.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0913 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2221 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 2.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2221 1.7508 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 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 3 18 1 0 0 0 0 8 19 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 20 1 1 0 0 0 25 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 24 19 1 0 0 0 0 6 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 1 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 15 36 1 0 0 0 0 36 37 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 36 37 M SBL 1 1 40 M SMT 1 OCH3 M SBV 1 40 -6.0854 5.4156 S SKP 8 ID FL5FABGP0001 KNApSAcK_ID C00005837 NAME 6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside CAS_RN 143601-07-4 FORMULA C27H28O10 EXACTMASS 512.168247116 AVERAGEMASS 512.50522 SMILES O(C(C)1)C(OC(=C(c(c5)ccc(OC)c5)2)C(c(c3O)c(c(C=4)c(OC(C4)(C)C)c3)O2)=O)C(O)C(O)C1O M END
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