Mol:FL3FE9GS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 0.3659 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3659 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2681 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2681 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7191 -0.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1702 -0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1702 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7191 0.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7191 -1.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6211 0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0808 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5405 0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5405 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0808 1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6211 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0953 0.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8267 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3111 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5686 -0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3728 0.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0224 0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5405 -0.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1149 -0.4523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1432 -0.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6601 0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0247 0.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1199 -0.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3276 -0.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 -1.1901 0.0000 C 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 18 1 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 18 1 0 0 0 0 24 28 1 0 0 0 0 28 29 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SBV 1 34 -7.5401 5.9331 S SKP 8 ID FL3FE9GS0010 KNApSAcK_ID C00004482 NAME 6,7-Dihydroxy-5-methoxyflavone 7-glucoside CAS_RN 150036-31-0 FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES O(C)c(c(O)3)c(c(cc3OC(C(O)4)OC(CO)C(C4O)O)2)C(=O)C=C(O2)c(c1)cccc1 M END