Mol:FL3FACDS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -3.5439 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5439 -1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9876 -2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4313 -1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4313 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9876 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3187 -1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3187 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -0.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -2.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -0.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7628 1.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3684 1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1115 0.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1046 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6413 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9463 1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0177 2.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4032 1.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 0.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9876 -2.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6389 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 -0.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5336 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5336 0.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6389 0.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1194 0.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 -0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4506 -0.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0326 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7549 -0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6142 -0.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9931 -0.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7675 -0.8185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2088 -0.9112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5097 1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7953 0.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3855 -1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -1.4747 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 3 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 9 23 1 0 0 0 0 26 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 35 37 1 0 0 0 0 34 38 1 0 0 0 0 31 39 1 0 0 0 0 25 39 1 0 0 0 0 18 40 1 0 0 0 0 40 41 1 0 0 0 0 33 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 -8.1563 5.7796 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 -8.2399 5.5543 S SKP 8 ID FL3FACDS0009 KNApSAcK_ID C00006253 NAME Orientin 3'-O-glucoside CAS_RN 85708-47-0 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES c(c(O)4)(c(c(C(C(O)5)OC(C(O)C(O)5)CO)c(c4)O)3)C(C=C(O3)c(c1)ccc(c1OC(O2)C(C(C(O)C(CO)2)O)O)O)=O M END