Mol:FL3FACGS0027
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 0.2085 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2085 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6596 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1106 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1106 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6596 1.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5617 0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0128 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0128 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5617 1.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7334 -0.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 1.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9234 0.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3831 1.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3831 1.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9234 1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 1.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 1.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6596 -0.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9775 1.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9234 2.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9404 0.4349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4248 -0.2457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6823 0.0431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9659 0.0508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4865 0.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 0.2992 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5170 0.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1367 -0.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9949 -0.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7332 -3.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6772 -2.3723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8244 -2.4148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5683 -1.6605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1138 -1.1070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8473 -1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1263 -1.9269 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5646 -2.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2521 -1.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 1.7280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8822 -1.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8022 -1.9342 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 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 31 32 1 0 0 0 0 35 30 1 0 0 0 0 25 18 1 0 0 0 0 27 40 1 0 0 0 0 40 41 1 0 0 0 0 37 42 1 0 0 0 0 42 43 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 46 M SMT 2 CH2OH M SVB 2 46 -2.6841 -0.7103 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 44 M SMT 1 CH2OH M SVB 1 44 -2.5405 1.1066 S SKP 8 ID FL3FACGS0027 KNApSAcK_ID C00004286 NAME Luteolin 7-allosyl-(1->2)-glucoside CAS_RN 113471-89-9 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES c(c1)c(c(O)cc1C(=C5)Oc(c(C(=O)5)2)cc(O[C@H](O4)[C@H]([C@@H](O)[C@H](C4CO)O)O[C@H](O3)[C@H]([C@@H](O)[C@H](C3CO)O)O)cc2O)O M END