Mol:FL5FAAGS0076
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 2.0127 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0127 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7272 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4416 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4416 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7272 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2982 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5837 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1307 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1307 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5837 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2982 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8452 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5597 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5597 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8452 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5837 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2741 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9045 -1.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0423 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8452 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1733 -1.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9038 -0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 0.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 0.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4317 -0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8402 -0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5441 -0.8524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6364 -1.5366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6269 -1.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3594 -0.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8763 0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4638 -0.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6657 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8725 -0.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2849 0.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0831 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2400 0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7197 1.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3594 0.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9123 0.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8371 -0.5059 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 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 20 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 18 1 0 0 0 0 S SKP 8 ID FL5FAAGS0076 KNApSAcK_ID C00013743 NAME Kaempferol 7,4'-diglucoside;7-(beta-D-Glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-3,5-dihydroxy-4H-1-benzopyran-4-one CAS_RN 87338-64-5 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES C(C(O1)C(O)C(C(O)C1Oc(c5)cc(c(c(O)5)2)OC(c(c3)ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)=C(O)C2=O)O)O M END