Mol:FL3FAIGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-1.1725 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1725 -1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4714 -2.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2297 -1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2297 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4714 -0.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9307 -2.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6318 -1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6318 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9307 -0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9307 -2.9363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3326 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0471 -0.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7615 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7615 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0471 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3326 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4714 -2.9327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4462 0.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0892 -0.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0565 -0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4955 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6877 -0.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9082 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4746 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2998 -0.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8071 -0.3534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3274 -0.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0172 -1.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9172 0.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9750 0.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8593 0.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5134 -0.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8593 -1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0471 1.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6507 2.9363 0.0000 C 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
20 1 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 20 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
26 30 1 0 0 0 0
33 34 1 0 0 0 0
14 33 1 0 0 0 0
35 36 1 0 0 0 0
16 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 30 31 32
M SBL 1 1 35
M SMT 1 ^ COOH
M SBV 1 35 0.6174 -0.5918
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 37
M SMT 2 OCH3
M SBV 2 37 -0.7519 0.4341
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 35 36
M SBL 3 1 39
M SMT 3 OCH3
M SBV 3 39 0.0000 -0.7726
S SKP 5
ID FL3FAIGS0006
FORMULA C23H22O13
EXACTMASS 506.10604078999995
AVERAGEMASS 506.41298000000006
SMILES OC(C4C(O)=O)C(C(O)C(O4)Oc(c3)cc(c(c3O)1)OC(c(c2)cc(c(c(OC)2)O)OC)=CC1=O)O
M END
