Mol:FL5FAAGS0058
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 42 0 0 0 0 0 0 0 0999 V2000 0.0856 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0856 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6419 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1982 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1982 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6419 0.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 0.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 -1.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8669 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0008 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0008 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8669 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6419 -1.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 1.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4094 0.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9246 -1.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4244 -0.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0532 -0.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 -0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3778 0.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8454 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9382 -0.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6319 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -0.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2042 0.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2042 0.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7796 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7796 1.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2834 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7871 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2908 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2908 0.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7945 1.2290 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 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 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 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 20 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 S SKP 8 ID FL5FAAGS0058 KNApSAcK_ID C00005871 NAME Kaempferol 7-(6''-p-succinylglucoside) CAS_RN 72947-91-2 FORMULA C25H24O14 EXACTMASS 548.116605476 AVERAGEMASS 548.44966 SMILES OC(C4O)C(COC(CCC(O)=O)=O)OC(C4O)Oc(c3)cc(c2c3O)OC(=C(C2=O)O)c(c1)ccc(c1)O M END