Mol:FL3FACGS0059
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 1.0278 -0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4789 -0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4789 0.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8321 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8321 -0.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 0.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 -1.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 0.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 -0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2024 0.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2024 0.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 0.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5083 0.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4789 -1.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7968 1.0742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 1.5273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 0.2136 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7500 0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4553 -0.1937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -0.4212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5673 -1.1018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8248 -0.8131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1084 -0.8053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6290 -0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2786 -0.6274 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7968 -0.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3711 -1.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3994 -1.5273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4145 0.6783 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 18 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 30 26 1 0 0 0 0 32 36 1 0 0 0 0 36 37 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 36 37 M SBL 1 1 39 M SMT 1 CH2OH M SVB 1 39 -3.469 0.3526 S SKP 8 ID FL3FACGS0059 KNApSAcK_ID C00004321 NAME Luteolin 7-(2''-glucosyllactate) CAS_RN 126394-93-2 FORMULA C24H24O13 EXACTMASS 520.121690854 AVERAGEMASS 520.43956 SMILES c(c4)(O)c(cc(c4)C(=C3)Oc(c1)c(C3=O)c(cc(OC(C(C)O[C@@H]([C@@H](O)2)OC([C@H](O)[C@H](O)2)CO)=O)1)O)O M END