Mol:FL5FDCGS0014
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
4.8056 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0911 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0911 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8056 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5200 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5200 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3766 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6622 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9477 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9477 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6622 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3766 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2332 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5187 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5187 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2332 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6622 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1957 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0911 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2332 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2345 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8056 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8056 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0453 0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6327 -0.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8343 -0.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0409 -0.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4534 0.0868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2518 -0.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4088 0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8886 0.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5285 -0.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0814 -0.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0058 -1.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7513 0.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3387 0.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5403 0.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7469 0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1594 0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9578 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1148 1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5946 1.5753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2345 0.4559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7874 0.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7118 -0.2064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
19 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 45 1 0 0 0 0
38 31 1 0 0 0 0
27 18 1 0 0 0 0
S SKP 8
ID FL5FDCGS0014
KNApSAcK_ID C00013901
NAME Madreselvin A;Quercetin 3-methyl ether 7-gentiobioside;2-(3,4-Dihydroxyphenyl)-7-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-3-methoxy-4H-1-benzopyran-4-one
CAS_RN 188682-83-9
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES c(c1C(=C5OC)Oc(c(C5=O)4)cc(cc4O)OC(O2)C(O)C(O)C(O)C2COC(C(O)3)OC(C(O)C3O)CO)cc(c(c1)O)O
M END
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