Mol:FL5FACGS0062
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
2.1364 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1364 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8509 0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5654 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5654 1.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8509 2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4220 0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7075 0.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0070 0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0070 -0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7075 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4220 -0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7214 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4359 0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4359 -0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7214 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7075 -1.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1504 0.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1364 -0.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7214 -1.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1573 2.0914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1939 0.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5222 -1.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1096 -1.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3112 -1.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5177 -1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9303 -1.0578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7287 -1.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1231 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1939 -1.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8488 -1.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7659 -2.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8083 -0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6412 -0.7394 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
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
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
29 33 2 0 0 0 0
29 34 1 0 0 0 0
26 20 1 0 0 0 0
S SKP 5
ID FL5FACGS0062
FORMULA C21H18O13
EXACTMASS 478.07474066199995
AVERAGEMASS 478.35982
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c21)cc(O)cc1OC(c(c3)cc(c(O)c3)O)=C(C2=O)O)O)O
M END
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