Mol:FL2FCCGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -3.4549 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4549 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8922 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 0.1439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8922 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8922 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2629 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2658 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2658 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2629 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7945 1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 0.5221 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5842 0.0011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1627 0.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7447 0.0011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0455 0.5221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4670 0.3569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3263 0.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5086 0.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4796 0.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7675 -0.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8121 0.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9443 -0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9443 -1.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 9 13 1 6 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 20 21 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 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 15 29 1 0 0 0 0 29 21 1 0 0 0 0 6 30 1 0 0 0 0 30 31 1 0 0 0 0 23 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 CH2OH M SVB 2 35 3.0976 0.0278 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 -3.8121 0.7627 S SKP 8 ID FL2FCCGS0001 KNApSAcK_ID C00008439 NAME 7-O-Methyleriodictyol 3'-O-glucoside CAS_RN 107140-38-5 FORMULA C22H24O11 EXACTMASS 464.13186161 AVERAGEMASS 464.41936000000004 SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3O)cc(cc3)[C@@H](O2)CC(c(c12)c(cc(c1)OC)O)=O M END