Mol:FL5FEAGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -2.1733 0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1733 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0607 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0607 0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 0.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 0.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5043 -0.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 1.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7294 0.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4854 -0.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3088 1.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -1.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9675 -1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6929 -1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1715 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9933 -0.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2679 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7892 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 -0.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 -1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8445 -1.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8877 -0.0389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1733 -0.4514 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 20 15 1 0 0 0 0 3 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 26 19 1 0 0 0 0 2 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 ^OCH3 M SBV 1 35 -8.2461 4.2747 S SKP 8 ID FL5FEAGS0006 KNApSAcK_ID C00005317 NAME 6-Methoxykaempferol 3-rhamnoside CAS_RN 104055-83-6 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES OC(C1OC(=C(c(c4)ccc(c4)O)3)C(=O)c(c(O3)2)c(c(OC)c(c2)O)O)C(C(O)C(C)O1)O M END