Mol:FL5FECGS0056
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
3.2340 1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5195 1.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5195 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2340 2.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9485 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9485 1.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8051 1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0906 1.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3761 1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3761 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0906 -0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8051 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3383 1.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0528 1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0528 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3383 -0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0906 -0.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7673 1.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5195 -0.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3383 -0.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6630 2.8627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2340 3.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7139 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7139 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9298 -1.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6819 -2.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2083 -1.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9851 -1.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2330 -0.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7065 -1.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2373 -1.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6859 -1.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8192 -2.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1663 -2.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4423 -2.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0616 -2.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4747 -2.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7622 -2.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1742 -2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9981 -2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4106 -2.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2356 -2.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6481 -2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2356 -3.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4106 -3.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4720 -2.9732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8255 -1.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6630 -1.6688 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
15 23 1 0 0 0 0
23 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
28 19 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
45 40 1 0 0 0 0
43 46 1 0 0 0 0
32 36 1 0 0 0 0
42 47 1 0 0 0 0
47 48 1 0 0 0 0
S SKP 8
ID FL5FECGS0056
KNApSAcK_ID C00013945
NAME Patuletin 3-(6''-(E)-feruloylglucoside);Quercetagetin 6-methyl ether 3-(6''-(E)-feruloylglucoside);2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-6-methoxy-4H-1-Benzopyran-4-one
CAS_RN 447440-60-0
FORMULA C32H30O16
EXACTMASS 670.153384912
AVERAGEMASS 670.571
SMILES COc(c1)c(ccc1C=CC(OCC(C5O)OC(C(C(O)5)O)OC(C2=O)=C(c(c4)ccc(O)c4O)Oc(c3)c2c(c(OC)c3O)O)=O)O
M END
