Mol:FL3FACGS0058
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 46 50 0 0 0 0 0 0 0 0999 V2000 0.4817 -1.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4817 -1.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9328 -2.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 -1.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 -1.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9328 -1.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8349 -2.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -1.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -1.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8349 -1.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0065 -2.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7369 -1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1966 -1.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6563 -1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6563 -0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1966 -0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7369 -0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 -1.0869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9328 -2.6878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2507 -0.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1966 0.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3836 1.4283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8693 0.9427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5292 0.3459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5292 -0.3408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0434 0.1448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3836 0.7416 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1621 1.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8693 1.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2911 0.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3599 0.5875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2537 -0.2598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4663 -0.3810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8420 -0.7325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0325 -0.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7664 0.0067 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9724 0.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9694 0.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -1.2122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0088 0.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0088 1.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 2.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2507 1.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 2.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4133 0.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9133 1.6076 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 30 1 0 0 0 0 36 40 1 0 0 0 0 18 25 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 27 45 1 0 0 0 0 45 46 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 45 46 M SBL 1 1 49 M SMT 1 CH2OH M SVB 1 49 0.4133 0.7416 S SKP 8 ID FL3FACGS0058 KNApSAcK_ID C00004319 NAME Luteolin 7-(6'''-acetylsophoroside) CAS_RN 135546-08-6 FORMULA C29H32O17 EXACTMASS 652.163949598 AVERAGEMASS 652.55418 SMILES C(C=1)(=O)c(c5O)c(cc(c5)O[C@H](O4)[C@H]([C@H]([C@H](C4CO)O)O)O[C@H](O3)[C@H]([C@H]([C@@H](O)C3COC(C)=O)O)O)OC1c(c2)ccc(O)c2O M END