Mol:FL5FACGA0028
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-3.7647 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7647 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2084 -0.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6521 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6521 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2084 0.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0958 -0.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5395 0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5395 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0958 0.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0958 -0.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9834 0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4164 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1506 0.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1506 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4164 1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9834 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8914 -0.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1541 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2336 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5119 -0.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2619 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6496 -0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9041 -0.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5730 -0.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1729 0.2006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6496 0.7112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7174 1.9522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2084 -0.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3756 0.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8908 -0.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2364 -1.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2372 -2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5814 -2.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9797 -2.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4164 2.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7016 -2.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3756 -2.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7016 -1.3099 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
16 36 1 0 0 0 0
35 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
S SKP 8
ID FL5FACGA0028
KNApSAcK_ID C00005947
NAME Quercetin 3-(6''-malonylgalactoside)
CAS_RN 84392-08-5
FORMULA C24H22O15
EXACTMASS 550.095870034
AVERAGEMASS 550.42248
SMILES O=C(CC(O)=O)OCC(O1)C(O)C(O)C(O)C1OC(C2=O)=C(c(c4)cc(c(c4)O)O)Oc(c3)c2c(O)cc3O
M END
