Mol:FL5FCAGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.1634 0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1634 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -0.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0508 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0508 0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 -0.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6179 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 0.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7518 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7518 1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6179 1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4952 -0.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3857 2.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4715 -1.2486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0998 -1.6113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9004 -0.9138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0998 -0.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4715 0.1507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6708 -0.5468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4412 -0.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6329 -1.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9482 -2.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5207 1.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0207 2.3200 0.0000 C 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 20 15 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 25 18 1 0 0 0 0 1 31 1 0 0 0 0 31 32 1 0 0 0 0 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 -2.5207 1.454 S SKP 8 ID FL5FCAGS0002 KNApSAcK_ID C00005272 NAME Rhamnocitrin 3-rhamnoside CAS_RN 57525-01-6 FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES O[C@H]([C@H]1OC(C(=O)4)=C(Oc(c43)cc(cc3O)OC)c(c2)ccc(c2)O)[C@@H]([C@H](O)C(C)O1)O M END