Mol:FL6FDANC0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.5392 1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0901 1.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0901 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 1.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4376 0.5578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1132 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1132 1.5119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4376 1.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7459 1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3132 1.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8805 1.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8805 2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3132 2.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7459 2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5392 0.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4473 2.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4376 -0.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -2.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6751 -2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6751 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -2.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4473 2.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9473 2.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9786 0.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2642 -0.0135 0.0000 C 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 4 5 2 0 0 0 0 5 1 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 10 1 1 0 0 0 10 11 2 0 0 0 0 11 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 10 1 0 0 0 0 3 16 2 0 0 0 0 16 4 1 0 0 0 0 13 17 1 0 0 0 0 6 18 1 6 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 23 26 1 0 0 0 0 2 27 1 0 0 0 0 27 28 1 0 0 0 0 16 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 29 30 M SBL 2 1 32 M SMT 2 OCH3 M SVB 2 32 -1.9786 0.399 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 30 M SMT 1 OCH3 M SVB 1 30 -2.4473 2.1306 S SKP 8 ID FL6FDANC0001 KNApSAcK_ID C00009320 NAME 4'-Hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan CAS_RN 63524-12-9 FORMULA C25H24O5 EXACTMASS 404.162373878 AVERAGEMASS 404.45506 SMILES C(=Cc(c4)ccc(O)c4)[C@H](c21)C[C@H](c(c3)ccc(c3)O)Oc(cc(OC)cc2OC)1 M END