Mol:FL5FAEGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.9730 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1396 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1396 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6959 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2522 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2522 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6959 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6959 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8083 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3752 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9422 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9422 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3752 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8083 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5291 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8083 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3752 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6686 0.0273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2975 -0.4627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7630 -0.2548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2472 -0.2492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6220 0.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0896 -0.1212 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2596 0.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6479 -0.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4567 -0.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 1.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1825 0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2888 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2442 1.0490 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 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 15 31 1 0 0 0 0 31 32 1 0 0 0 0 27 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 36 M SMT 2 CH2OH M SVB 2 36 -3.2888 0.7537 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 3.468 1.2392 S SKP 8 ID FL5FAEGS0002 KNApSAcK_ID C00005593 NAME Tamarixetin 7-glucoside CAS_RN 16290-09-8 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)cc(c(OC)c2)O)CO)O)O M END