Mol:FL5FBGGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.2325 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2325 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6762 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1199 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1199 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6762 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5636 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0073 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0073 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5636 1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5636 -0.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5488 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1158 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6827 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6827 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1158 2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5488 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5488 -0.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4764 2.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8434 0.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2496 0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7943 -1.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4225 -2.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2232 -1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4225 -0.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7943 -0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9936 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7640 -1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9557 -2.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2710 -2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8434 -1.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1158 2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1126 -0.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3982 -0.7515 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
8 18 1 0 0 0 0
19 15 1 0 0 0 0
1 20 1 0 0 0 0
14 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 18 1 0 0 0 0
16 32 1 0 0 0 0
3 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 OCH3
M SBV 1 36 -6.7486 4.8733
S SKP 8
ID FL5FBGGS0001
KNApSAcK_ID C00005756
NAME Myricetin 5-methyl ether 3-rhamnoside
CAS_RN 29028-03-3
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES OC(C1OC(C(=O)3)=C(Oc(c4)c(c(OC)cc4O)3)c(c2)cc(O)c(O)c(O)2)C(C(O)C(C)O1)O
M END
