Mol:FL5FACGS0028
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-3.5397 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5397 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9834 -0.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4271 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4271 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9834 0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8708 -0.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3145 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3145 0.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8708 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8708 -0.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6140 1.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0471 0.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5199 1.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5199 1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0471 2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6140 1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9834 -1.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1267 2.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0347 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7512 -0.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0471 2.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1110 -1.7524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5172 -2.1151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3179 -1.4176 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5172 -0.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1110 -0.3531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0883 -1.0507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8586 -1.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0504 -2.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3656 -2.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9381 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6183 -0.8249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0607 -1.4088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6978 -1.1611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3125 -1.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8658 -0.7077 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.3085 -1.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3710 -1.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0628 -1.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3037 -1.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3202 -0.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7985 0.1818 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
4 3 1 0 0 0 0
16 22 1 0 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
27 21 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
34 39 1 0 0 0 0
35 40 1 0 0 0 0
29 33 1 0 0 0 0
36 41 1 0 0 0 0
37 42 1 0 0 0 0
42 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 46
M SMT 1 CH2OH
M SVB 1 46 3.3202 -0.6964
S SKP 8
ID FL5FACGS0028
KNApSAcK_ID C00005417
NAME Quercetin 3-glucosyl-(1->2)-rhamnoside
CAS_RN -
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES c(c5O)c(cc(c53)OC(c(c4)ccc(O)c4O)=C(C3=O)O[C@H]([C@@H](O[C@@H](O2)[C@@H]([C@H](O)[C@@H](C2CO)O)O)1)OC(C)[C@@H](O)[C@H]1O)O
M END
