Mol:FL3FE8GS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.5399 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1746 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8891 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8891 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1746 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6035 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6035 0.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0325 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4614 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4614 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0325 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6035 -1.8398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2595 0.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -0.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1746 -1.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 -1.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0318 -0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9782 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5656 0.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7672 0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9738 0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3863 0.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1847 0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3417 1.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8216 1.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4614 0.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0143 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9387 -0.1690 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 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 18 1 1 0 0 0 0 12 19 1 0 0 0 0 3 20 1 0 0 0 0 2 21 1 0 0 0 0 21 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 S SKP 8 ID FL3FE8GS0002 KNApSAcK_ID C00013650 NAME 5,7,2'-Trihydroxy-6-methoxyflavone 7-O-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(2-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one CAS_RN 226879-03-4 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES COc(c3OC(C(O)4)OC(CO)C(C4O)O)c(c(c2c3)C(=O)C=C(O2)c(c1O)cccc1)O M END