Mol:FL5FACGS0029
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-3.2183 0.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2183 0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6620 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1057 0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1057 0.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6620 1.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5494 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9931 0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9931 0.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5494 1.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5494 -0.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2926 1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2744 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8414 1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8414 1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2744 2.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2926 1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6620 -0.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4482 2.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7132 1.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4298 -0.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2744 2.9434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2104 -1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8387 -1.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6393 -1.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8387 -0.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2104 -0.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4097 -0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1801 -0.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3718 -2.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6871 -2.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2596 -1.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7767 -2.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4759 -2.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0544 -2.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6364 -2.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1177 -2.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3587 -2.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2180 -2.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5969 -1.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7132 -2.1644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9893 -2.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7038 -2.9434 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 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 33 1 0 0 0 0
33 39 1 0 0 0 0
38 40 1 0 0 0 0
37 41 1 0 0 0 0
31 34 1 0 0 0 0
36 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 SBV 1 46 -8.3474 6.2100
S SKP 8
ID FL5FACGS0029
KNApSAcK_ID C00005418
NAME Quercetin 3-glucosyl-(1->4)-rhamnoside
CAS_RN 59262-54-3
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES C(=C3OC(C(O)5)OC(C)C(C5O)OC(O4)C(O)C(O)C(C4CO)O)(Oc(c2)c(C3=O)c(O)cc2O)c(c1)ccc(O)c1O
M END
