Mol:FL5FACGS0096
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
3.5082 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7937 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7937 1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5082 1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2226 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2226 0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0792 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3648 0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6503 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6503 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3648 -1.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0792 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0642 0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7786 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7786 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0642 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3648 -2.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4931 0.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6782 -1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0642 -2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8145 1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5082 2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1402 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7275 -0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9292 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1357 -0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5483 0.4486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3467 0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5800 -0.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2646 0.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8145 0.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4819 0.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8691 0.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3912 1.8255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8714 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3796 1.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
23 31 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
33 35 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
26 18 1 0 0 0 0
S SKP 8
ID FL5FACGS0096
KNApSAcK_ID C00013868
NAME Quercetin 7-(6''-acetylglucoside);7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one
CAS_RN 72659-74-6
FORMULA C23H22O13
EXACTMASS 506.10604078999995
AVERAGEMASS 506.41298000000006
SMILES OC(C1O)C(Oc(c4)cc(c3c4O)OC(=C(C(=O)3)O)c(c2)ccc(c2O)O)OC(COC(C)=O)C1O
M END
