Mol:FL5FAGGL0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-2.2728 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5668 1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5668 1.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2728 2.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9788 1.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9788 1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8608 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1548 1.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1548 1.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8608 2.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6732 2.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3889 1.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1047 2.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1047 3.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3889 3.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6732 3.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6941 3.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7025 2.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4341 0.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8608 -0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2728 -0.1634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6149 2.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3889 4.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6933 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3778 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1146 0.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2865 1.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6019 1.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8651 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4128 0.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1327 -0.3929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1822 -0.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2810 -0.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6149 0.5867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1922 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6490 -0.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4892 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -1.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4120 -2.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3728 -2.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6074 -3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0572 -3.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7275 -3.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9622 -2.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2176 -4.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 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 1 1 0 0 0 0
2 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 3 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
14 17 1 0 0 0 0
13 18 1 0 0 0 0
8 19 1 0 0 0 0
7 20 2 0 0 0 0
1 21 1 0 0 0 0
5 22 1 0 0 0 0
15 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
18 27 1 0 0 0 0
31 35 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
44 39 1 0 0 0 0
42 45 1 0 0 0 0
S SKP 8
ID FL5FAGGL0011
KNApSAcK_ID C00011175
NAME Myricetin 3'-O-(6''-p-coumaroyl)glucoside
CAS_RN 603136-05-6
FORMULA C30H26O15
EXACTMASS 626.127170162
AVERAGEMASS 626.51844
SMILES c(C(=O)4)(c(O)5)c(cc(c5)O)OC(=C(O)4)c(c3)cc(c(c3O)O)OC(C(O)2)OC(C(O)C(O)2)COC(C=Cc(c1)ccc(O)c1)=O
M END
