Mol:FL5FAAGLS003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 47 51 0 0 0 0 0 0 0 0999 V2000 -4.2652 0.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2652 0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7089 -0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1526 0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1526 0.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7089 1.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5963 -0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 0.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5963 1.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5963 -0.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3395 1.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7726 0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2056 1.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2056 1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7726 2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3395 1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9297 1.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2277 2.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7089 -0.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2602 0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -0.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0174 0.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5994 -0.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3218 0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8189 0.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 0.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2324 0.3723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5139 -0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1429 -0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8421 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4206 -0.3687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0025 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3034 -0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7249 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5842 -0.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9631 0.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -0.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5541 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 -0.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5475 -2.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5475 -1.8752 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9297 -1.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5475 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0425 -1.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1469 -0.0597 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 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 4 3 1 0 0 0 0 1 18 1 0 0 0 0 15 19 1 0 0 0 0 20 3 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 31 32 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 31 1 0 0 0 0 31 37 1 0 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 34 40 1 0 0 0 0 32 41 1 0 0 0 0 41 30 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 43 46 2 0 0 0 0 45 40 1 0 0 0 0 22 47 1 0 0 0 0 47 8 1 0 0 0 0 S SKP 8 ID FL5FAAGLS003 KNApSAcK_ID C00006066 NAME Kaempferol 3-(6''-sulfatogetiobioside) CAS_RN 75759-58-9 FORMULA C27H30O19S EXACTMASS 690.110199468 AVERAGEMASS 690.5817000000001 SMILES c(O)(c1)cc(c(C(=O)2)c(OC(c(c5)ccc(c5)O)=C2OC(O3)C(C(O)C(C3COC(C(O)4)OC(C(O)C(O)4)COS(O)(=O)=O)O)O)1)O M END