Mol:FL3FAAGM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.6188 -0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6188 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1678 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7167 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7167 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1678 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2656 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8146 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8146 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2656 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2656 -1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3637 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5558 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5558 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3637 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1678 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0801 0.1644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6592 -0.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4598 0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6592 0.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2302 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0006 0.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1923 -0.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 -1.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0801 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 1.4442 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 15 19 1 0 0 0 0 20 1 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 25 19 1 0 0 0 0 16 31 1 0 0 0 0 S SKP 8 ID FL3FAAGM0002 KNApSAcK_ID C00004479 NAME 5,7,4'-Trihydroxy-3'-C-methylflavone 4'-rhamnoside CAS_RN 92358-40-2 FORMULA C22H22O9 EXACTMASS 430.126382302 AVERAGEMASS 430.40468000000004 SMILES C(C1O)(Oc(c(C)2)ccc(C(O4)=CC(c(c43)c(O)cc(O)c3)=O)c2)OC(C(O)C1O)C M END