Mol:FL5FACGA0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.2356 -4.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6151 -4.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1609 -4.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3272 -3.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 -3.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4019 -3.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1271 -3.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0392 -2.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6597 -2.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -2.8515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6107 -3.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8259 -1.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -1.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5324 -0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1647 -0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6277 -0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4582 -1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6896 -5.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -2.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 -0.8198 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0042 -1.4912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7497 -1.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4996 -1.4912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8874 -0.8198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1419 -1.0328 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6648 -1.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4439 -0.5096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8874 -0.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3342 0.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4593 -4.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2599 -0.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 -1.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0689 -2.8390 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 20 21 1 0 0 0 0 21 22 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 16 31 1 0 0 0 0 23 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 CH2OH M SVB 1 35 3.083 -1.8391 S SKP 8 ID FL5FACGA0001 KNApSAcK_ID C00005372 NAME Hyperin CAS_RN 482-36-0 FORMULA C21H20O12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)[C@@H](C(O)1)O[C@H](CO)[C@H](O)C1O M END
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