Mol:FL5FACGS0048
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-2.1792 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1792 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6229 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0666 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0666 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6229 1.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5103 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0460 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0460 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5103 1.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5103 -0.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7465 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3135 0.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8804 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8804 1.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3135 2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7465 1.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6229 -0.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6741 2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6741 1.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6093 -0.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3939 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0221 -1.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8228 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0221 -0.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3939 0.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5932 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3635 -0.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5553 -1.8352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0221 -2.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4430 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3135 2.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2165 -2.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7122 -2.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5229 -2.9528 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
4 3 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 21 1 0 0 0 0
16 32 1 0 0 0 0
29 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
S SKP 8
ID FL5FACGS0048
KNApSAcK_ID C00005964
NAME Quercetin 3-(3''-acetylrhamnoside)
CAS_RN 69120-15-6
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES c(c(C(O2)=C(OC(O4)C(O)C(C(C(C)4)O)OC(C)=O)C(c(c3O)c2cc(c3)O)=O)1)cc(c(c1)O)O
M END
