Mol:FL5FECGS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.6003 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6003 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0440 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5123 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5123 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0440 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0686 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6249 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6249 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0686 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0686 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7479 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3149 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3149 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7479 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1564 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0190 -1.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0440 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7479 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8817 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6431 -0.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2162 -0.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6014 -0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0082 -0.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4392 0.0899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0672 -0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3772 0.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8817 -0.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2491 -0.9390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3148 -0.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6003 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8345 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1201 -0.0013 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
16 21 1 0 0 0 0
15 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 18 1 0 0 0 0
2 32 1 0 0 0 0
32 33 1 0 0 0 0
28 34 1 0 0 0 0
34 35 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 ^OCH3
M SBV 1 35 -7.1269 4.2880
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 34 35
M SBL 2 1 37
M SMT 2 CH2OH
M SBV 2 37 -6.1797 4.7434
S SKP 8
ID FL5FECGS0009
KNApSAcK_ID C00005643
NAME Patuletin 7-galactoside
CAS_RN 146396-37-4
FORMULA C22H22O13
EXACTMASS 494.10604078999995
AVERAGEMASS 494.40228
SMILES COc(c1OC(C(O)4)OC(CO)C(C4O)O)c(c(C2=O)c(OC(c(c3)ccc(c3O)O)=C2O)c1)O
M END
