Mol:FL2FAAGS0026
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
0.6647 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3773 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6679 -0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3846 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0973 -0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0936 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8136 -1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5262 -0.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5225 0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8063 0.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1763 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8924 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6053 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6021 1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8860 1.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1731 1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8146 -1.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0392 0.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3846 -1.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2208 1.6763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6602 0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2476 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4493 0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6558 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0683 0.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8667 0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1001 -0.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7847 0.3377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3346 0.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0019 1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4301 -1.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1541 -0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8587 -1.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8393 -2.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1153 -2.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4107 -2.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6877 -2.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0959 -3.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5429 -2.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1735 -0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8965 0.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1661 1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7471 2.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1530 2.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9780 2.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3970 2.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9910 1.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4095 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2208 2.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3834 3.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9232 2.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5048 2.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5178 1.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
4 19 1 0 0 0 0
14 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
23 27 1 0 0 0 0
22 28 1 0 0 0 0
21 29 1 0 0 0 0
26 30 1 0 0 0 0
24 18 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 31 1 0 0 0 0
36 37 1 0 0 0 0
35 38 1 0 0 0 0
34 39 1 0 0 0 0
32 40 1 0 0 0 0
40 41 2 0 0 0 0
29 40 1 0 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 42 1 0 0 0 0
47 48 1 0 0 0 0
46 49 1 0 0 0 0
45 50 1 0 0 0 0
43 51 1 0 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 30 1 0 0 0 0
S SKP 8
ID FL2FAAGS0026
KNApSAcK_ID C00014320
NAME Naringenin 7-(4,6-digalloylglucoside);5,7,4'-Trihydroxyflavanone 7-(4,6-digalloylglucoside)
CAS_RN 231289-24-0
FORMULA C35H30O18
EXACTMASS 738.143214156
AVERAGEMASS 738.6019
SMILES c(c(O)4)c(cc(O5)c(C(=O)CC5c(c6)ccc(c6)O)4)OC(C2O)OC(COC(=O)c(c3)cc(c(O)c3O)O)C(C(O)2)OC(c(c1)cc(O)c(O)c1O)=O
M END
