Mol:FL5FACGI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-0.1593 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1593 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3970 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9533 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9533 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3970 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5096 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0659 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0659 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5096 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5096 -1.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7664 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 -0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9004 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9004 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7664 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3970 -1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5072 1.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6542 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6292 -1.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0038 -0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5614 -0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9243 -0.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3096 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7563 0.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3136 -0.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6162 -0.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2510 -0.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5593 -1.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8809 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7272 0.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1152 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9681 1.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7480 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0331 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5072 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0378 0.7350 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
16 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
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 20 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
36 39 1 0 0 0 0
S SKP 8
ID FL5FACGI0001
KNApSAcK_ID C00005969
NAME Quercetin 7-(6''-tiglylglucoside)
CAS_RN 56365-37-8
FORMULA C26H26O13
EXACTMASS 546.137340918
AVERAGEMASS 546.4768399999999
SMILES C(=CC)(C(OCC(C(O)1)OC(Oc(c2)cc(O)c(C3=O)c2OC(c(c4)ccc(c4O)O)=C3O)C(O)C1O)=O)C
M END
