Mol:FL5FECGS0063
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
2.1179 1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4034 2.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4034 2.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1179 3.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8323 2.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8323 2.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6889 1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0256 2.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7400 1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7400 0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0256 0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6889 0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4545 2.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1690 1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1690 0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4545 0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0256 -0.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8834 2.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4034 0.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4545 -0.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5468 3.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1179 4.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8300 0.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5468 1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1492 -1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6330 -1.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0934 -1.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8385 -0.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0563 -0.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5958 -1.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1228 -0.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4102 -0.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1883 -2.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2762 -1.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7688 -1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2593 -3.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4771 -3.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0168 -3.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2716 -2.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0539 -2.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5143 -3.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9873 -2.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5204 -2.8872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2984 -4.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8339 -4.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 -3.3947 0.0000 O 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
15 23 1 0 0 0 0
18 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
36 37 1 1 0 0 0
37 38 1 1 0 0 0
39 38 1 1 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 36 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
36 44 1 0 0 0 0
37 45 1 0 0 0 0
38 46 1 0 0 0 0
39 33 1 0 0 0 0
28 19 1 0 0 0 0
S SKP 8
ID FL5FECGS0063
KNApSAcK_ID C00013952
NAME Quercetagetin 7-methyl ether 3-cellobioside;2-(3,4-Dihydroxyphenyl)-3-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 235741-64-7
FORMULA C28H32O18
EXACTMASS 656.1588642199999
AVERAGEMASS 656.54288
SMILES C(c(c5)cc(c(O)c5)O)(=C(OC(O3)C(C(O)C(OC(O4)C(O)C(C(O)C4CO)O)C3CO)O)2)Oc(c1C2=O)cc(c(c(O)1)O)OC
M END
