Mol:FL5FABGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -0.9217 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9217 0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1909 0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1909 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 1.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7472 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3035 0.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3035 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7472 1.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7472 -0.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8596 1.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4266 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9936 1.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9936 1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4266 2.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8596 1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4778 1.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7369 -0.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 -0.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8887 0.8783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4832 0.3432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8994 0.5702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2909 0.5635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7454 0.9857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3418 0.7716 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4100 0.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8659 -0.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5649 0.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6927 -1.2279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3209 -1.5907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1215 -0.8932 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3209 -0.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6927 0.1714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8919 -0.5262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6623 -0.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -1.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1693 -2.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7418 -1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6275 2.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 1.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 1.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4905 1.8930 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 8 19 1 0 0 0 0 3 20 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 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 18 1 0 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 30 1 1 0 0 0 35 36 1 0 0 0 0 30 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 34 19 1 0 0 0 0 15 40 1 0 0 0 0 40 41 1 0 0 0 0 26 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 -3.534 1.6013 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 44 M SMT 1 OCH3 M SVB 1 44 3.6275 2.1563 S SKP 8 ID FL5FABGS0006 KNApSAcK_ID C00005294 NAME Kaempferide 3-rhamnoside-7-glucoside CAS_RN 89764-20-5 FORMULA C28H32O15 EXACTMASS 608.174120354 AVERAGEMASS 608.54468 SMILES c(c2O)(C(=O)3)c(OC(c(c5)ccc(c5)OC)=C3O[C@H]([C@H]4O)OC(C)[C@H]([C@H]4O)O)cc(c2)O[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)C(CO)1 M END