Mol:FL3FACGS0040
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -3.4110 -0.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -1.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9599 -1.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5088 -1.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5088 -0.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9599 -0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0578 -1.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6067 -1.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6067 -0.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0578 -0.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0578 -1.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1558 -0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6961 -0.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2364 -0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2364 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6961 0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1558 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9304 -0.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9599 -1.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 0.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6876 0.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 0.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7954 -0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1831 0.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4376 0.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9677 0.4611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7446 0.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 0.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4456 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9299 0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1874 0.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 1.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7501 1.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0221 0.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7337 0.6063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 0.2200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8828 1.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3076 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0221 -0.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0456 1.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3311 1.5852 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 21 22 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 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 20 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 39 16 1 0 0 0 0 24 40 1 0 0 0 0 40 41 1 0 0 0 0 35 42 1 0 0 0 0 42 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 44 M SMT 1 CH2OH M SBV 1 44 -8.8717 4.0426 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 46 M SMT 2 ^CH2OH M SBV 2 46 -9.6794 4.8233 S SKP 8 ID FL3FACGS0040 KNApSAcK_ID C00004300 NAME Luteolin 3',4'-diglucoside CAS_RN - FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES Oc(c1)cc(c(C(=O)5)c1OC(=C5)c(c3)ccc(c3OC(O4)C(C(C(O)C4CO)O)O)OC(O2)C(C(C(C(CO)2)O)O)O)O M END