Mol:FL5FCFGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-2.4532 0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4532 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8969 -0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3406 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3406 0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8969 1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7843 -0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2280 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2280 0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7843 1.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7843 -0.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3281 1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8951 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4621 1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4621 1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8951 1.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3281 1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1662 -0.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8969 -0.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9549 -1.6411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5831 -2.0038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3838 -1.3063 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.5831 -0.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9549 -0.2418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1542 -0.9393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9245 -0.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1162 -2.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4315 -2.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0040 -1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8104 1.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3103 2.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3281 2.1660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1942 2.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1785 2.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6198 3.4668 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
3 19 1 0 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 20 1 1 0 0 0
25 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
24 18 1 0 0 0 0
1 30 1 0 0 0 0
30 31 1 0 0 0 0
15 32 1 0 0 0 0
32 33 1 0 0 0 0
16 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 34 35
M SBL 3 1 37
M SMT 3 OCH3
M SVB 3 37 1.1785 2.5695
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 OCH3
M SVB 2 35 2.096 2.032
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 -2.8104 1.309
S SKP 8
ID FL5FCFGS0002
KNApSAcK_ID C00005624
NAME Quercetin 7,3',4'-trimethyl ether 3-rhamnoside
CAS_RN 34286-87-8
FORMULA C24H26O11
EXACTMASS 490.147511674
AVERAGEMASS 490.45664
SMILES [C@H]([C@H](O)1)(O)[C@@H](OC(C3=O)=C(c(c4)cc(OC)c(OC)c4)Oc(c23)cc(OC)cc2O)OC(C)[C@H]1O
M END
