Mol:FL2FHYGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.9197 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2071 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9165 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1998 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5092 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9381 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5919 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0177 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3016 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5887 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2302 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5452 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1998 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7002 1.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4871 -0.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8043 -0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -0.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6251 0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4235 0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5804 0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0603 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7002 0.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 0.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1775 -0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 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 1 18 1 0 0 0 0 4 19 1 0 0 0 0 14 20 1 0 0 0 0 9 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 18 1 0 0 0 0 S SKP 8 ID FL2FHYGS0001 KNApSAcK_ID C00014328 NAME 2,5,7,4'-Tetrahydroxyflavanone 7-glucoside CAS_RN 303049-59-4 FORMULA C21H22O11 EXACTMASS 450.116211546 AVERAGEMASS 450.39278 SMILES c(c1)(OC(O4)C(O)C(O)C(O)C4CO)cc(O2)c(C(CC2(c(c3)ccc(O)c3)O)=O)c1O M END