Mol:FL5FCAGL0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -2.9057 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9057 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3494 -0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7931 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7931 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3494 1.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2368 -0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6805 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6805 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2368 1.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2368 -0.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 1.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1539 1.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1539 1.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 2.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 1.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3494 -0.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7608 2.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1468 -0.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 0.0519 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1904 -0.4692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7688 -0.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3508 -0.4692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6517 0.0519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0732 -0.1134 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9325 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1147 0.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0061 0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9608 -1.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7261 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1719 -1.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9353 -2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2629 1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7628 2.3110 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 20 8 1 0 0 0 0 21 22 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 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 22 20 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 1 35 1 0 0 0 0 35 36 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 35 36 M SBL 1 1 38 M SMT 1 OCH3 M SVB 1 38 -3.2629 1.4449 S SKP 8 ID FL5FCAGL0007 KNApSAcK_ID C00005927 NAME Rhamnocitrin 3-(6''-acetylglucoside) CAS_RN 123442-25-1 FORMULA C24H24O12 EXACTMASS 504.126776232 AVERAGEMASS 504.44016 SMILES O(C)c(c1)cc(O)c(C2=O)c1OC(c(c4)ccc(c4)O)=C2O[C@H](O3)C(O)C(O)[C@@H](O)[C@H]3COC(C)=O M END