Mol:FL5FAAGS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.4676 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4676 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0887 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6450 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6450 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0887 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2013 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7576 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7576 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2013 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2013 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3137 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8807 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4477 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4477 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8807 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3137 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0887 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0237 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0145 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1896 -0.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9532 0.5225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.4169 -0.1993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4682 0.0894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7517 0.0971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2724 0.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0663 0.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.6390 1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0145 -0.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0428 -0.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8059 0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3820 1.6553 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
8 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 19 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 CH2OH
M SVB 1 34 -2.8059 0.8379
S SKP 8
ID FL5FAAGS0013
KNApSAcK_ID C00005148
NAME Kaempferol 7-galactoside
CAS_RN 53585-54-9
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c1)c(C3=O)c(cc(O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)1)O
M END
