Mol:FL5FACGS0111
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 54 0 0 0 0 0 0 0 0999 V2000
3.3725 1.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6580 1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6580 2.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3725 2.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0870 2.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0870 1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9436 1.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2291 1.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5146 1.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5146 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2291 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9436 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1998 1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9143 1.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9143 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1998 -0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2291 -0.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6288 1.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5425 -0.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1998 -0.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6789 2.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3725 3.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1957 1.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7830 0.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9847 1.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1912 0.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6038 1.6656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4022 1.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5591 2.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0390 2.3193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6789 1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2317 1.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1562 0.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9038 -2.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6859 -2.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1465 -1.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8918 -1.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1097 -1.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6490 -1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1439 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8608 -2.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1781 -2.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4411 -2.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6549 -3.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3921 -2.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9368 -2.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5844 -2.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3215 -1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8663 -1.1418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4861 -1.5971 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
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
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 18 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
39 40 1 0 0 0 0
34 41 1 0 0 0 0
35 42 1 0 0 0 0
36 43 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
45 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
48 50 1 0 0 0 0
50 40 1 0 0 0 0
37 19 1 0 0 0 0
S SKP 8
ID FL5FACGS0111
KNApSAcK_ID C00013883
NAME Quercetin 3-(6''-malonylglucoside)-7-glucoside;3-[[6-O-(Carboxyacetyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
CAS_RN 194093-39-5
FORMULA C30H32O20
EXACTMASS 712.148693464
AVERAGEMASS 712.56308
SMILES C(=O)(C=3OC(O5)C(O)C(C(O)C5COC(CC(O)=O)=O)O)c(c2OC3c(c4)ccc(c4O)O)c(O)cc(c2)OC(O1)C(O)C(O)C(O)C1CO
M END
