Mol:FL3FECGS0036
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 46 0 0 0 0 0 0 0 0999 V2000 0.7922 0.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7922 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2433 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6944 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6944 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2433 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5965 0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5965 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 1.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 -0.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0474 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5071 0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9668 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9668 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5071 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0474 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2433 -0.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 1.2122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4265 1.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4623 1.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9467 0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 0.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4877 0.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0084 1.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6579 0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1761 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7505 0.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7788 0.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5071 2.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7614 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4126 -0.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8475 -0.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4969 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6063 -2.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4265 -0.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9173 -0.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3222 0.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3631 -1.9314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4454 0.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7279 1.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5248 1.5887 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 19 1 1 0 0 0 0 15 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 19 1 0 0 0 0 16 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 33 37 1 0 0 0 0 33 38 1 0 0 0 0 31 39 2 0 0 0 0 35 40 2 0 0 0 0 31 27 1 0 0 0 0 2 41 1 0 0 0 0 26 42 1 0 0 0 0 42 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 42 43 M SBL 1 1 45 M SMT 1 ^CH2OH M SBV 1 45 -5.9725 4.2626 S SKP 8 ID FL3FECGS0036 KNApSAcK_ID C00004511 NAME 6-Hydroxyluteolin 7-[4''-(3-hydroxy-3-methylglutaryl)glucoside] CAS_RN 151750-79-7 FORMULA C27H28O16 EXACTMASS 608.137734848 AVERAGEMASS 608.50162 SMILES C(C(OC(C(CO)4)C(O)C(C(O4)Oc(c1)c(O)c(O)c(C2=O)c(OC(c(c3)ccc(c3O)O)=C2)1)O)=O)C(C)(O)CC(O)=O M END