Mol:FL3FAAGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.4379 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4379 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1184 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6747 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6747 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1184 0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2310 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7874 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7874 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2310 0.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2310 -1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3434 0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9104 0.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4774 0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4774 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9104 1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3434 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9940 0.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1184 -1.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0442 1.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7560 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2404 -0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4979 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7814 0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3021 0.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0605 0.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7560 1.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0442 -0.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0725 -0.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1890 0.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7724 1.4706 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
3 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 ^CH2OH
M SBV 1 33 -7.2654 4.5585
S SKP 8
ID FL3FAAGS0008
KNApSAcK_ID C00004143
NAME Apigenin 7-galactoside
CAS_RN 23598-21-2
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)c1
M END
