Mol:FL3FE9GS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.1476 1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1476 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4465 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2545 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2545 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4465 2.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9556 0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6567 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6567 1.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9556 2.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2225 -0.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3575 2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0720 1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7865 2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7865 2.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0720 3.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3575 2.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4465 -0.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8644 2.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4457 -1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9881 -2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9453 -2.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8962 -2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3538 -1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3966 -1.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3464 -1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6143 -2.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6896 -2.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8962 -3.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2581 1.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7865 1.3003 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
19 1 1 0 0 0 0
20 21 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 20 1 0 0 0 0
20 26 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 18 1 0 0 0 0
30 31 1 0 0 0 0
2 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 ^ OCH3
M SBV 1 34 1.1105 -0.2052
S SKP 5
ID FL3FE9GS0011
FORMULA C22H22O9
EXACTMASS 430.126382302
AVERAGEMASS 430.40468000000004
SMILES COc(c4O)c(c(c(c4)3)C(=O)C=C(O3)c(c2)cccc2)OC(O1)C(O)C(C(O)C(C)1)O
M END
