Mol:FL5FECGA0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-2.8858 -0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8858 -0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3295 -1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7732 -0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7732 -0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3295 0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2168 -1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6605 -0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6605 -0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2168 0.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2168 -1.5951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1044 0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 -0.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0295 0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0295 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1044 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4419 0.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0124 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0330 -0.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6454 -1.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3908 -1.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1408 -1.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5285 -0.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7830 -1.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3059 -1.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0518 -0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5963 1.1722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3295 -1.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 1.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6394 -0.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6002 -0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8858 -1.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8858 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6002 -1.8268 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
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
16 30 1 0 0 0 0
24 31 1 0 0 0 0
2 32 1 0 0 0 0
32 33 1 0 0 0 0
23 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 -6.0092 5.4263
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 -4.5498 5.4240
S SKP 8
ID FL5FECGA0001
KNApSAcK_ID C00005638
NAME Patuletin 3-galactoside
CAS_RN 35399-34-9
FORMULA C22H22O13
EXACTMASS 494.10604078999995
AVERAGEMASS 494.40228
SMILES O(C(=C(c(c4)cc(c(O)c4)O)3)C(=O)c(c2O3)c(c(OC)c(c2)O)O)C(O1)C(O)C(C(C(CO)1)O)O
M END
