Mol:FL3FAAGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.4379 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4379 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1184 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6747 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6747 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1184 0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 0.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3434 0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9104 0.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4774 0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4774 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9104 1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3434 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 0.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1184 -1.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0442 1.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2404 -0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4979 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7814 0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3021 0.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0605 0.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 1.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0442 -0.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0725 -0.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1890 0.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7724 1.4706 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 3 19 1 0 0 0 0 15 20 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 24 18 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 ^CH2OH M SBV 1 33 -7.2654 4.5585 S SKP 8 ID FL3FAAGS0008 KNApSAcK_ID C00004143 NAME Apigenin 7-galactoside CAS_RN 23598-21-2 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)c1 M END