Mol:FL5FACGL0029
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-1.8658 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8658 0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3095 0.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7532 0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7532 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3095 1.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1969 0.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3594 0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3594 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1969 1.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1969 -0.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9155 1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4825 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0495 1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0495 2.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4825 2.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9155 2.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4219 1.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7536 0.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3095 -0.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6834 2.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1442 -0.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5614 -0.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7463 -1.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5614 -1.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1442 -2.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9593 -1.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9767 -0.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4208 -1.6850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9690 -2.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4825 3.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6711 -2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3460 -2.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7279 -0.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3561 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1568 -0.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3561 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7279 0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9272 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6975 -0.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8893 -1.5108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2046 -1.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7770 -0.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2376 -2.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8251 -3.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0270 -2.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2338 -3.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6462 -2.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4443 -2.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5777 -2.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8895 -1.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7770 -2.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2965 -3.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3494 -2.7787 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
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 1 0 0 0 0
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 19 1 0 0 0 0
16 31 1 0 0 0 0
25 32 1 0 0 0 0
32 33 1 0 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 1 0 0 0
39 34 1 1 0 0 0
39 40 1 0 0 0 0
34 41 1 0 0 0 0
35 42 1 0 0 0 0
36 43 1 0 0 0 0
28 38 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
44 52 1 0 0 0 0
46 53 1 0 0 0 0
45 54 1 0 0 0 0
33 47 1 0 0 0 0
S SKP 8
ID FL5FACGL0029
KNApSAcK_ID C00005455
NAME Quercetin 3-(2G-rhamnosylgentiobioside)
CAS_RN 55780-29-5
FORMULA C33H40O21
EXACTMASS 772.206208342
AVERAGEMASS 772.6581
SMILES O(C(CO)6)C(C(O)C(C(O)6)O)OCC(C(O)4)OC(C(OC(O5)C(C(O)C(C5C)O)O)C4O)OC(=C2c(c3)cc(c(c3)O)O)C(=O)c(c(O2)1)c(cc(O)c1)O
M END
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