Mol:FL5FBGGL0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-2.8304 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8304 -0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2741 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7178 -0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7178 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2741 0.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1615 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6052 -0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6052 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1615 0.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1615 -1.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0491 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5178 -0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0848 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0848 0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5178 1.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0491 0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3865 0.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0429 -1.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0883 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7007 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4461 -1.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1961 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5838 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8383 -1.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3612 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1071 -0.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9693 -0.8992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6516 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5178 1.8629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6516 -0.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7106 -1.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9961 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6721 -1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3865 -1.8629 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
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
16 30 1 0 0 0 0
14 31 1 0 0 0 0
3 32 1 0 0 0 0
32 33 1 0 0 0 0
23 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 -5.6759 5.2104
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 -4.7635 5.3879
S SKP 8
ID FL5FBGGL0001
KNApSAcK_ID C00005755
NAME Myricetin 5-methyl ether 3-glucoside
CAS_RN 56691-93-1
FORMULA C22H22O13
EXACTMASS 494.10604078999995
AVERAGEMASS 494.40228
SMILES O(C(C(=O)3)=C(Oc(c4)c(c(OC)cc4O)3)c(c2)cc(O)c(O)c(O)2)C(O1)C(O)C(C(C(CO)1)O)O
M END
