Mol:FL5FACGS0097
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 1.5943 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8798 2.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8798 3.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5943 3.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3087 3.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3087 2.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1653 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5491 2.6819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2636 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2636 1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5491 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1653 1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9781 2.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6926 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6926 1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9781 1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5491 0.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 2.6819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7643 0.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9781 0.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9006 3.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5943 4.6452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2568 -1.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5359 -2.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5227 -2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 -3.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9515 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 -2.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6846 -1.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6583 -3.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2174 -4.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -2.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 -1.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0503 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2045 -0.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8238 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 -0.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2555 -0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3676 -0.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -1.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7126 -1.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8293 -0.7973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5257 -2.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2346 -2.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9545 -2.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9656 -3.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2568 -3.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5368 -3.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8289 -3.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2679 -4.6452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6846 -3.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2235 -1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9314 -0.9263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 27 30 1 0 0 0 0 26 31 1 0 0 0 0 24 32 1 0 0 0 0 32 33 2 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 44 1 0 0 0 0 37 19 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 45 1 0 0 0 0 50 51 1 0 0 0 0 49 52 1 0 0 0 0 48 53 1 0 0 0 0 46 54 1 0 0 0 0 54 55 2 0 0 0 0 44 32 1 0 0 0 0 41 54 1 0 0 0 0 S SKP 8 ID FL5FACGS0097 KNApSAcK_ID C00013869 NAME Quercetin 3-(2'',6''-digalloylgalactoside);3-[[2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one CAS_RN 200860-88-4 FORMULA C35H28O20 EXACTMASS 768.117393336 AVERAGEMASS 768.58482 SMILES c(c1C(=C(OC(C(OC(c(c6)cc(c(O)c(O)6)O)=O)4)OC(COC(=O)c(c5)cc(c(c(O)5)O)O)C(O)C4O)3)Oc(c2C3=O)cc(cc2O)O)cc(O)c(c1)O M END