Mol:FL4DACGS0019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -3.5720 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0511 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5302 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5302 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0511 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0093 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 -0.4575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4884 0.1439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0093 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0093 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9087 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1487 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1487 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9087 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0227 0.4311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0202 -1.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0511 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 0.6253 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4052 0.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9837 0.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5657 0.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8665 0.6253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2880 0.4600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1473 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3295 0.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8084 0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 0.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4209 -0.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3995 -1.4139 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 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 31 1 0 0 0 0 31 14 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 CH2OH M SVB 1 35 3.3082 0.1927 S SKP 8 ID FL4DACGS0019 KNApSAcK_ID C00008711 NAME Taxifolin 3'-glucoside CAS_RN 31106-05-5 FORMULA C21H22O12 EXACTMASS 466.111126168 AVERAGEMASS 466.39218 SMILES c(c(O)4)(cc(cc4)[C@H]([C@H]3O)Oc(c2)c(C3=O)c(cc(O)2)O)O[C@H](O1)C(O)C(O)[C@@H](O)[C@H]1CO M END