Mol:FL3F1CGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.4198 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4198 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1365 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6928 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6928 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1365 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2491 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8054 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8054 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2491 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2491 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3615 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9285 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4955 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4955 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9285 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3615 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9759 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3485 -0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8329 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0904 -0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3739 -0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8945 -0.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5441 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0623 -0.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6367 -0.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6649 -1.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9285 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0623 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7280 0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5249 0.2622 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
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
18 22 1 0 0 0 0
16 28 1 0 0 0 0
15 29 1 0 0 0 0
24 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 -7.3026 4.1118
S SKP 8
ID FL3F1CGS0001
KNApSAcK_ID C00004133
NAME 7,3',4'-Trihydroxyflavone 7-glucoside
CAS_RN 24502-03-2
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)cc(c(O)1)O
M END
