Mol:FL5FAAGS0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -3.7304 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7304 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1741 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6178 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6178 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1741 1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0615 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0615 1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0615 -0.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9491 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3821 0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1848 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1848 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3821 2.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9491 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1741 -0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2865 1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7516 2.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9774 -0.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2398 -1.3014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3884 -1.6641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1890 -0.9666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3884 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2398 0.0979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0406 -0.5997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7298 -0.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0785 -1.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2368 -2.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8093 -1.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6321 -0.0426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1477 -0.7233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8902 -0.4345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6067 -0.4268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0860 0.0939 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4365 -0.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3439 -0.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3156 -1.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5979 -0.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8429 0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6554 1.7297 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 21 8 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 21 26 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 28 32 1 0 0 0 0 35 40 1 0 0 0 0 36 41 1 0 0 0 0 41 42 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 45 M SMT 1 CH2OH M SVB 1 45 3.3843 0.1339 S SKP 8 ID FL5FAAGS0021 KNApSAcK_ID C00005171 NAME Kaempferol 3-glucosyl-(1->2)-rhamnoside;3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 142451-65-8 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES c(O)(c1)cc(c(C3=O)c(OC(=C(O[C@H]([C@@H](O[C@@H](O5)[C@@H]([C@H](O)[C@@H](C5CO)O)O)4)OC(C)[C@@H](O)[C@H]4O)3)c(c2)ccc(c2)O)1)O M END