Mol:FL5FACGA0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-1.2159 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2159 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6596 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1033 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1033 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6596 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4530 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0093 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0093 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4530 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4530 -1.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7097 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2767 -0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8437 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8437 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2767 1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7097 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6596 -1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4505 1.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5726 -1.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8804 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2767 1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9727 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6015 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0670 -0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5513 -0.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9261 0.1946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3937 -0.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4480 -0.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1802 -0.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7608 -0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5209 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2201 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7986 -1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3806 -1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6814 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1029 -1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9622 -1.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3411 -0.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6814 -0.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4323 0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2292 0.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7335 -1.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4480 -1.7745 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 8 1 0 0 0 0
4 3 1 0 0 0 0
1 21 1 0 0 0 0
16 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
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 21 1 0 0 0 0
32 33 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 32 1 0 0 0 0
32 38 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
33 20 1 0 0 0 0
28 41 1 0 0 0 0
41 42 1 0 0 0 0
35 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 41 42
M SBL 1 1 45
M SMT 1 ^CH2OH
M SBV 1 45 -5.9117 7.5650
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 47
M SMT 2 CH2OH
M SBV 2 47 -5.5201 7.1932
S SKP 8
ID FL5FACGA0013
KNApSAcK_ID C00005424
NAME Quercetin 3-galactoside-7-glucoside
CAS_RN 56782-99-1,174175-14-5
FORMULA C27H30O17
EXACTMASS 626.148299534
AVERAGEMASS 626.5169000000001
SMILES C(C(O)5)(OC(CO)C(O)C5O)Oc(c4)cc(c(c4O)1)OC(c(c3)ccc(O)c3O)=C(OC(C(O)2)OC(C(C(O)2)O)CO)C(=O)1
M END
