Mol:FL5FACGA0013
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -1.2159 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6596 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1033 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1033 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6596 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0093 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0093 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -1.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7097 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2767 -0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2767 1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7097 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6596 -1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4505 1.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5726 -1.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8804 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2767 1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9727 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6015 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 -0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5513 -0.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9261 0.1946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3937 -0.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 -0.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1802 -0.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7608 -0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5209 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2201 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7986 -1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3806 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6814 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1029 -1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9622 -1.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3411 -0.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6814 -0.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4323 0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2292 0.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7335 -1.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 -1.7745 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 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 8 1 0 0 0 0 4 3 1 0 0 0 0 1 21 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 21 1 0 0 0 0 32 33 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 32 1 0 0 0 0 32 38 1 0 0 0 0 37 39 1 0 0 0 0 36 40 1 0 0 0 0 33 20 1 0 0 0 0 28 41 1 0 0 0 0 41 42 1 0 0 0 0 35 43 1 0 0 0 0 43 44 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 45 M SMT 1 ^CH2OH M SBV 1 45 -5.9117 7.5650 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 43 44 M SBL 2 1 47 M SMT 2 CH2OH M SBV 2 47 -5.5201 7.1932 S SKP 8 ID FL5FACGA0013 KNApSAcK_ID C00005424 NAME Quercetin 3-galactoside-7-glucoside CAS_RN 56782-99-1,174175-14-5 FORMULA C27H30O17 EXACTMASS 626.148299534 AVERAGEMASS 626.5169000000001 SMILES C(C(O)5)(OC(CO)C(O)C5O)Oc(c4)cc(c(c4O)1)OC(c(c3)ccc(O)c3O)=C(OC(C(O)2)OC(C(C(O)2)O)CO)C(=O)1 M END
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