Mol:FL3FEAGS0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 38 41 0 0 0 0 0 0 0 0999 V2000 0.6321 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6321 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5342 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5342 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 -0.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4363 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4363 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 -0.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 -1.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8872 -0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 -0.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8067 -0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8067 0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8872 0.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1812 -0.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 0.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 -1.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -1.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6819 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1663 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7073 -0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2279 -0.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9864 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2584 -0.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9701 -1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9983 -1.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3582 0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3582 0.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7654 1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2521 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7116 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2663 0.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7116 1.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7654 1.6263 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 20 3 1 0 0 0 0 2 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 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 18 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 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 33 38 2 0 0 0 0 S SKP 8 ID FL3FEAGS0014 KNApSAcK_ID C00004230 NAME Scutellarein 7-(6''-malonylglucoside) CAS_RN 127350-67-8 FORMULA C24H22O14 EXACTMASS 534.100955412 AVERAGEMASS 534.42308 SMILES O=C(CC(O)=O)OCC(C(O)1)OC(Oc(c(O)4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC(=O)2)C(C(O)1)O M END