Mol:FL3FECGS0027
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-0.0773 0.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0773 0.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3738 -0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8248 0.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8248 0.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3738 0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2759 -0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7270 0.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7270 0.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2759 0.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2759 -0.5676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1779 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6376 0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0973 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0973 1.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6376 1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1779 1.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6376 2.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3738 -0.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5921 1.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7749 -0.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2263 0.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7106 0.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9681 0.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2517 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7723 0.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5308 0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8028 0.4947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5145 0.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5427 -0.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2633 -1.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4738 -1.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9581 -1.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2156 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4992 -1.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0198 -0.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7783 -1.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9581 -2.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7902 -2.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8263 1.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1118 1.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1313 -0.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7146 -0.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5488 1.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2633 1.2591 0.0000 C 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
16 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
21 2 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
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
31 32 1 0 0 0 0
35 30 1 0 0 0 0
25 20 1 0 0 0 0
27 40 1 0 0 0 0
40 41 1 0 0 0 0
37 42 1 0 0 0 0
42 43 1 0 0 0 0
15 44 1 0 0 0 0
44 45 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 44
M SMT 1 ^CH2OH
M SBV 1 44 -7.0676 5.6654
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 46
M SMT 2 ^CH2OH
M SBV 2 46 -7.1251 5.2443
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 44 45
M SBL 3 1 48
M SMT 3 OCH3
M SBV 3 48 -6.3206 5.1187
S SKP 8
ID FL3FECGS0027
KNApSAcK_ID C00004408
NAME 6-Hydroxyluteolin 4'-methyl ether 7-allosyl-(1->2)-glucoside
CAS_RN 92632-48-9
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES Oc(c1OC)cc(C(O2)=CC(c(c3O)c(cc(OC(C(OC(C5O)OC(C(C5O)O)CO)4)OC(CO)C(C4O)O)c3O)2)=O)cc1
M END
