Mol:FL5FCFGS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -2.4532 0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4532 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8969 -0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3406 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3406 0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8969 1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7843 -0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7843 1.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7843 -0.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3281 1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8951 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4621 1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4621 1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8951 1.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3281 1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1662 -0.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8969 -0.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9549 -1.6411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5831 -2.0038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3838 -1.3063 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5831 -0.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9549 -0.2418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1542 -0.9393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9245 -0.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 -2.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4315 -2.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8104 1.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3103 2.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3281 2.1660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1942 2.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 2.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6198 3.4668 0.0000 C 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 20 1 1 0 0 0 25 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 24 18 1 0 0 0 0 1 30 1 0 0 0 0 30 31 1 0 0 0 0 15 32 1 0 0 0 0 32 33 1 0 0 0 0 16 34 1 0 0 0 0 34 35 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 34 35 M SBL 3 1 37 M SMT 3 OCH3 M SVB 3 37 1.1785 2.5695 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 OCH3 M SVB 2 35 2.096 2.032 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 -2.8104 1.309 S SKP 8 ID FL5FCFGS0002 KNApSAcK_ID C00005624 NAME Quercetin 7,3',4'-trimethyl ether 3-rhamnoside CAS_RN 34286-87-8 FORMULA C24H26O11 EXACTMASS 490.147511674 AVERAGEMASS 490.45664 SMILES [C@H]([C@H](O)1)(O)[C@@H](OC(C3=O)=C(c(c4)cc(OC)c(OC)c4)Oc(c23)cc(OC)cc2O)OC(C)[C@H]1O M END
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