Mol:FL5FACGA0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-2.4755 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4755 0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9192 -0.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3629 0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3629 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9192 1.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8066 -0.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2503 0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2503 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8066 1.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8066 -0.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3058 1.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8728 0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4398 1.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4398 1.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8728 2.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3058 1.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0316 1.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9192 -0.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8194 1.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3669 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0537 -0.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6560 -0.6899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2620 -0.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5753 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9729 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 -0.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2209 -0.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5753 0.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8363 -0.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9993 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4262 -2.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0410 -2.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6342 -2.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2031 -1.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5751 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5250 -1.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7606 -2.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3932 -2.6700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0316 -1.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3739 -0.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8728 2.6700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8438 -1.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0469 -1.3179 0.0000 O 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
3 4 1 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 15 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
40 30 1 0 0 0 0
22 41 1 0 0 0 0
41 8 1 0 0 0 0
16 42 1 0 0 0 0
36 43 1 0 0 0 0
43 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 47
M SMT 1 ^CH2OH
M SBV 1 47 -7.9776 6.8433
S SKP 8
ID FL5FACGA0008
KNApSAcK_ID C00005399
NAME Quercetin 3-glucosyl-(1->6)-galactoside
CAS_RN 90366-14-6
FORMULA C27H30O17
EXACTMASS 626.148299534
AVERAGEMASS 626.5169000000001
SMILES c(c(O)5)cc(cc5O)C(O3)=C(C(c(c(O)4)c(cc(O)c4)3)=O)OC(O1)C(C(O)C(C(COC(C2O)OC(C(C(O)2)O)CO)1)O)O
M END
