Mol:FL5FAAGL0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -4.3645 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3645 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8082 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2519 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2519 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8082 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6956 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6956 0.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6956 -0.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5832 0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0162 0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4492 0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4492 1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0162 1.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5832 1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8082 -0.9964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9206 0.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1176 1.9122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 -0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3973 -0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3527 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 -0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 -0.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4751 -0.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3018 0.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2815 -0.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0635 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0794 -0.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5861 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1985 -1.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 -1.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6939 -1.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0817 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3361 -1.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 -1.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6431 -0.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6228 -1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2618 -0.9420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2061 -1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9206 -1.9123 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 27 8 1 0 0 0 0 27 22 1 0 0 0 0 21 31 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 37 39 1 0 0 0 0 36 40 1 0 0 0 0 38 33 1 0 0 0 0 32 41 1 0 0 0 0 38 30 1 0 0 0 0 35 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 42 43 M SBL 1 1 46 M SMT 1 CH2OH M SBV 1 46 -6.8594 3.5441 S SKP 8 ID FL5FAAGL0008 KNApSAcK_ID C00005166 NAME Kaempferol 3-gentiobioside CAS_RN 22149-35-5 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES c(O)(c1)cc(c(C(=O)2)c(OC(c(c5)ccc(c5)O)=C2OC(C3O)OC(COC(C4O)OC(C(C(O)4)O)CO)C(C(O)3)O)1)O M END