Mol:FL3FEAGN0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-0.4698 1.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4698 0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2446 0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9591 0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9591 1.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2446 1.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6735 0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3880 0.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3880 1.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6735 1.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6735 -0.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1020 1.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8302 1.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5583 1.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5583 2.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8302 3.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1020 2.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1839 1.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2862 3.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2446 -0.4961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1772 0.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5558 2.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9024 1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0061 1.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0538 1.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7136 2.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5947 1.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2862 1.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7754 1.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1669 1.0828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1772 -0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5056 -0.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7658 -0.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4175 -0.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1074 -1.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7947 -0.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4820 -1.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4820 -1.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7947 -2.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1074 -1.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0297 -2.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7947 -2.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7988 -3.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2035 2.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2488 2.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6789 3.4017 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
15 19 1 0 0 0 0
20 3 1 0 0 0 0
2 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 1 0 0 0 0
21 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 35 1 0 0 0 0
38 41 1 0 0 0 0
42 43 1 0 0 0 0
39 42 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
27 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 47
M SMT 1 OCH3
M SBV 1 47 0.0000 0.5829
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 44 45 46
M SBL 2 1 50
M SMT 2 ^COOH
M SBV 2 50 0.6088 -0.6088
S SKP 5
ID FL3FEAGN0001
FORMULA C31H26O15
EXACTMASS 638.127170162
AVERAGEMASS 638.52914
SMILES Oc(c(OC(=O)C=Cc(c5)cc(OC)c(O)c5)3)c(C2=O)c(cc3OC(C4O)OC(C(C4O)O)C(O)=O)OC(=C2)c(c1)ccc(c1)O
M END
