Mol:FL5FACGS0034
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-0.7172 0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7172 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1609 -0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3954 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3954 0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1609 0.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9517 -0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5080 -0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5080 0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9517 0.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9517 -1.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2085 0.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7755 0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3424 0.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3424 1.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7755 1.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2085 1.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1609 -1.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9493 1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0713 -0.6707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3817 0.7648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7755 2.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4740 0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1028 0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5683 0.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0525 0.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4273 0.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8949 0.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9493 0.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6814 0.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2620 -0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9796 -1.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5150 -1.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3452 -1.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5150 -0.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9796 -0.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1495 -1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8060 -1.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1172 -2.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3859 -2.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8738 -1.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9336 0.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7305 1.1788 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
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
37 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
36 20 1 0 0 0 0
28 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 -5.4130 8.1840
S SKP 8
ID FL5FACGS0034
KNApSAcK_ID C00005431
NAME Quercetin 3-rhamnoside-7-glucoside
CAS_RN 17306-45-5
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES C(C(O)5)(OC(CO)C(O)C5O)Oc(c4)cc(O2)c(c4O)C(C(=C(c(c3)ccc(O)c3O)2)OC(C(O)1)OC(C)C(C1O)O)=O
M END
