Mol:FL7AAAGA0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000 -1.7982 0.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7982 0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2419 -0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6856 0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6856 0.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2419 1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1293 -0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 0.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1293 1.0107 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.9831 1.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5501 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 1.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5501 1.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9831 1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6839 1.9925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3543 1.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2419 -0.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 -0.7839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2649 0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8773 -0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6227 -0.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3727 -0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7604 0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0149 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -0.1634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1481 0.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6008 0.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0222 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5173 -0.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9408 -0.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4251 -1.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6826 -1.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9662 -1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2453 -1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5173 -1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2289 -1.6063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2572 -1.9926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5408 -0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8263 -0.6274 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 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 21 27 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 30 31 1 0 0 0 0 22 20 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 19 1 0 0 0 0 37 41 1 0 0 0 0 41 42 1 0 0 0 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 45 M SMT 1 ^CH2OH M SBV 1 45 -6.2971 4.3020 S SKP 12
FORMULA C27H31O15
EXACTMASS 595.166295322
AVERAGEMASS 595.52604
SMILES O(C5CO)C(C(C(C5O)O)O)Oc(c4)c(c1)c(cc4O)[o+1]c(c(c3)ccc(O)c3)c(OC(O2)C(C(C(C2CO)O)O)O)1
