Mol:FL5FDDNF0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.2652 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2652 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7089 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7089 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6501 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6501 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6501 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8761 0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 -0.4925 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8761 -1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2169 -1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2169 0.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7089 0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1453 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4308 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3665 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8079 2.6052 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 15 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 2 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 6 25 1 0 0 0 0 3 26 1 0 0 0 0 26 27 1 0 0 0 0 8 28 1 0 0 0 0 28 29 1 0 0 0 0 16 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 30 31 M SBL 3 1 33 M SMT 3 OCH3 M SVB 3 33 2.3665 1.7079 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 28 29 M SBL 2 1 31 M SMT 2 OCH3 M SVB 2 31 1.1589 -1.0199 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 -1.1453 -1.2954 S SKP 8 ID FL5FDDNF0003 KNApSAcK_ID C00005106 NAME 8-C-Methylvelloquercetin 3,5,3'-trimethyl ether CAS_RN 148335-06-2 FORMULA C24H24O7 EXACTMASS 424.152203122 AVERAGEMASS 424.44316000000003 SMILES c(O4)(c(CC4C(C)=C)3)c(C)c(c2c(OC)3)OC(=C(C2=O)OC)c(c1)ccc(O)c(OC)1 M END