Mol:FL3FECGS0046
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 54 58 0 0 0 0 0 0 0 0999 V2000 4.1456 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 1.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 0.0758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0022 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0022 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 -1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2877 0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5732 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5732 -1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2877 -1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 -2.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1413 0.0758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2877 -2.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2801 1.3024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2390 -0.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0799 -1.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8746 0.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4621 -0.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6641 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 0.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0814 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4198 0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8995 1.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3577 -0.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9107 -0.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8355 -0.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4621 -1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0496 -2.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2516 -2.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -2.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -1.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6689 -1.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8258 -1.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9452 -2.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 -2.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -2.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3881 -0.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8611 2.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 2.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5365 1.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0975 2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6420 1.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2801 2.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5365 1.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5365 2.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6420 1.3230 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 16 19 1 0 0 0 0 5 20 1 0 0 0 0 4 21 1 0 0 0 0 15 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 18 1 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 34 41 1 0 0 0 0 35 42 1 0 0 0 0 36 43 1 0 0 0 0 37 22 1 0 0 0 0 40 44 1 0 0 0 0 30 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 48 52 1 0 0 0 0 48 53 1 0 0 0 0 50 54 2 0 0 0 0 S SKP 8 ID FL3FECGS0046 KNApSAcK_ID C00013691 NAME 6-Hydroxyluteolin 6-glucoside-7-[6'''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one CAS_RN 165460-15-1 FORMULA C33H38O21 EXACTMASS 770.190558278 AVERAGEMASS 770.64222 SMILES O(C(CC(C)(O)CC(O)=O)=O)CC(C(O)5)OC(C(C5O)O)Oc(c1OC(O4)C(O)C(O)C(O)C(CO)4)cc(O2)c(C(=O)C=C2c(c3)ccc(c(O)3)O)c(O)1 M END