Mol:FL3FECGS0037
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 46 0 0 0 0 0 0 0 0999 V2000
1.2420 -0.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2420 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6930 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1441 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1441 -0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6930 -0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5952 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0462 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0462 -0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5952 -0.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5952 -1.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4971 -0.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9568 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4166 -0.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4166 0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9568 0.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4971 0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6930 -1.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7807 -0.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8762 0.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0126 -0.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4970 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7545 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0380 -0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5586 -0.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2082 -0.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7264 -0.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4039 -0.9352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3290 -1.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6766 0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9568 1.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1727 1.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7770 0.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2431 1.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8412 0.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3156 1.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8762 0.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2431 1.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2431 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1727 1.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3156 1.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5207 0.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8344 -1.4427 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
19 1 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 19 1 0 0 0 0
26 30 1 0 0 0 0
16 31 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
34 38 1 0 0 0 0
34 39 1 0 0 0 0
32 40 2 0 0 0 0
36 41 2 0 0 0 0
30 42 1 0 0 0 0
42 32 1 0 0 0 0
2 43 1 0 0 0 0
S SKP 8
ID FL3FECGS0037
KNApSAcK_ID C00004512
NAME 6-Hydroxyluteolin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
CAS_RN 151750-78-6
FORMULA C27H28O16
EXACTMASS 608.137734848
AVERAGEMASS 608.50162
SMILES C(=O)(OCC(O1)C(C(O)C(O)C1Oc(c2)c(O)c(O)c(C3=O)c(OC(c(c4)ccc(c4O)O)=C3)2)O)CC(CC(O)=O)(C)O
M END
