Mol:FL4DACGS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.3954 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 -0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3536 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3536 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1673 -0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1673 0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1673 -1.0895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2679 0.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7966 0.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3253 0.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3253 1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7966 1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2679 1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 0.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1564 -0.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 1.5518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 -1.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7966 2.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6605 -1.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3143 -1.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8157 -1.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -1.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6842 -1.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1935 -1.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6605 -0.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -1.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -2.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9573 -0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2428 -1.3743 0.0000 O 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 6 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 6 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 16 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 21 1 0 0 0 0 28 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 SBV 1 35 -4.8113 3.9973 S SKP 8 ID FL4DACGS0015 KNApSAcK_ID C00008707 NAME Taxifolin 5-galactoside CAS_RN 81074-97-7 FORMULA C21H22O12 EXACTMASS 466.111126168 AVERAGEMASS 466.39218 SMILES C(C1Oc(c32)cc(O)cc2OC(c(c4)cc(c(O)c4)O)C(C3=O)O)(O)C(O)C(O)C(O1)CO M END