Mol:FL3FAAGN0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -1.1562 0.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 0.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5999 -0.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0436 0.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0436 0.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5999 1.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5127 -0.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 0.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 0.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5127 1.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5127 -0.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6251 1.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 1.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 1.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 2.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6251 1.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7123 1.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3258 2.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5999 -0.7282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2724 0.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8377 0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2118 0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5253 0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0467 0.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6861 0.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1608 0.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5153 0.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8532 -0.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9829 1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6389 2.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9829 0.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 0.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6391 -0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1174 -0.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1174 -1.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6391 -1.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1608 -1.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1608 -0.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6391 -2.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7226 1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5195 1.2373 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 20 3 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 18 24 1 0 0 0 0 19 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 26 41 1 0 0 0 0 41 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 45 M SMT 1 ^CH2OH M SBV 1 45 -6.2417 4.1049 S SKP 8 ID FL3FAAGN0001 KNApSAcK_ID C00004183 NAME Apigenin 7-glucoside-4'-p-coumarate CAS_RN 61237-20-5 FORMULA C30H26O12 EXACTMASS 578.1424262959999 AVERAGEMASS 578.5202400000001 SMILES c(C=CC(Oc(c2)ccc(C(O5)=CC(c(c53)c(O)cc(OC(C4O)OC(C(O)C4O)CO)c3)=O)c2)=O)(c1)ccc(c1)O M END