Mol:FL3FECGS0053
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
3.8695 1.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8695 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5840 0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2984 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2984 1.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5840 1.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1550 0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4405 0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7261 0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7261 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4405 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1550 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0116 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2971 0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2971 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0116 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4405 -1.6203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4173 0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0116 -1.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0040 1.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9629 0.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3560 -0.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6773 0.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0570 -0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3231 -1.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5893 1.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3957 0.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8895 0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1275 0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3107 0.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8168 0.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5790 0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7994 1.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2249 1.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7733 0.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2847 0.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6904 -0.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2997 0.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7935 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0315 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2147 -0.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7208 0.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4830 0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7034 0.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1289 0.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6773 -0.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1887 -0.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5944 -0.6627 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
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
15 22 1 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 37 1 0 0 0 0
38 39 1 1 0 0 0
39 40 1 1 0 0 0
41 40 1 1 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 38 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
38 46 1 0 0 0 0
39 47 1 0 0 0 0
40 48 1 0 0 0 0
41 35 1 0 0 0 0
30 18 1 0 0 0 0
S SKP 8
ID FL3FECGS0053
KNApSAcK_ID C00013698
NAME 6-Hydroxyluteolin 5,6,3',4'-tetramethyl eter 7-cellobioside;2-(3,4-Dimethoxyphenyl)-7-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,6-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 222025-50-5
FORMULA C31H38O17
EXACTMASS 682.21089979
AVERAGEMASS 682.62322
SMILES C(C2Oc(c5)c(c(OC)c(c54)C(=O)C=C(O4)c(c3)cc(OC)c(OC)c3)OC)(C(O)C(C(O2)CO)OC(O1)C(O)C(O)C(C(CO)1)O)O
M END
