Mol:FL3FACGS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 0.6566 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6566 -1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1077 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5588 -1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5588 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1077 -0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0098 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4609 -1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4609 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0098 -0.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1815 -1.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9118 -0.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3715 -0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8312 -0.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8312 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3715 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9118 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1371 -0.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1077 -1.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4256 0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3715 1.0188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5955 -1.1148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0798 -1.7955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3373 -1.5067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6209 -1.4990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1415 -0.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -1.2506 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1720 -1.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8836 -1.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9119 -2.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8181 1.5957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3038 1.1100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9636 0.5132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9636 -0.1735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4779 0.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8181 0.9089 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5967 2.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0917 1.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1534 -0.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4494 -0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4256 0.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0212 0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5212 1.7749 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 25 18 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 34 39 1 0 0 0 0 39 40 1 0 0 0 0 40 27 1 0 0 0 0 33 41 1 0 0 0 0 36 42 1 0 0 0 0 42 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 42 43 M SBL 1 1 46 M SMT 1 CH2OH M SVB 1 46 -3.0212 0.9089 S SKP 8 ID FL3FACGS0025 KNApSAcK_ID C00004284 NAME Luteolin 7-gentiobioside CAS_RN 70855-41-3 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES c(c3)(c(c(O)cc(O[C@@H]([C@@H](O)4)OC(CO[C@@H]([C@H]5O)OC([C@@H]([C@H](O)5)O)CO)[C@H](O)[C@@H]4O)3)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)O M END