Mol:FL3FABGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.4147 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4147 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0363 -0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4874 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4874 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0363 0.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9385 -0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3895 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3895 0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9385 0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9385 -0.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8404 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3002 0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7599 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7599 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3002 1.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8404 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8656 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0363 -0.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3574 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8418 -0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0993 0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3829 0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9035 0.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6619 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9339 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6456 -0.2304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6719 -0.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6922 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0689 -1.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1318 -1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2195 1.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9339 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9575 1.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2430 0.7485 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 3 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
29 28 1 0 0 0 0
23 18 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
15 32 1 0 0 0 0
32 33 1 0 0 0 0
25 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 -6.5262 4.9914
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 -7.2813 5.5335
S SKP 8
ID FL3FABGS0008
KNApSAcK_ID C00004208
NAME Acacetin 7-(2''-acetylglucoside)
CAS_RN 78886-64-3
FORMULA C24H24O11
EXACTMASS 488.13186161
AVERAGEMASS 488.44076
SMILES OCC(O1)C(O)C(C(C1Oc(c2)cc(c(C(=O)4)c2OC(=C4)c(c3)ccc(c3)OC)O)OC(C)=O)O
M END
