Mol:FL5FECGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.9630 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6564 -0.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 1.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4657 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0940 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8946 -1.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0940 -0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4657 -0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6650 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4354 -0.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6271 -2.1381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9424 -2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5148 -1.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.0990 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
8 19 1 0 0 0 0
16 20 1 0 0 0 0
15 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 19 1 0 0 0 0
2 32 1 0 0 0 0
3 33 1 0 0 0 0
S SKP 8
ID FL5FECGS0001
KNApSAcK_ID C00005632
NAME Quercetagetin 3-rhamnoside
CAS_RN 64543-29-9
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES O(C(C4=O)=C(Oc(c34)cc(O)c(c3O)O)c(c2)cc(c(O)c2)O)C(O1)C(O)C(O)C(O)C(C)1
M END
