Mol:FL5FAAGL0073
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-3.9445 3.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9445 2.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2300 1.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5156 2.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5156 3.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2300 3.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8011 1.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0867 2.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0867 3.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8011 3.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8011 1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1870 3.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5411 3.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2693 3.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2693 4.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5411 5.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1870 4.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2300 1.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2886 5.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5802 3.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0617 1.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1977 -3.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6596 -4.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7207 -3.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1800 -4.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0335 -4.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4072 -3.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1547 -3.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5284 -4.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1547 -5.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4072 -5.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2754 -4.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8826 0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2726 -0.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 -1.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8826 -1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5991 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7303 1.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2270 -1.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6277 -2.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0459 -2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6827 -3.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3154 1.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1216 2.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6489 3.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4850 3.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6721 2.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3710 2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8826 2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6953 3.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9965 3.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5802 2.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8815 1.8384 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
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 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
29 32 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
33 39 1 0 0 0 0
38 40 1 0 0 0 0
37 41 1 0 0 0 0
36 42 1 0 0 0 0
34 21 1 0 0 0 0
22 43 1 0 0 0 0
43 42 1 0 0 0 0
4 3 1 0 0 0 0
39 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 47 1 0 0 0 0
50 53 1 0 0 0 0
44 54 2 0 0 0 0
S SKP 5
ID FL5FAAGL0073
FORMULA C39H32O15
EXACTMASS 740.174120354
AVERAGEMASS 740.66238
SMILES Oc(c6)ccc(c6)C=CC(OCC(C(O)2)OC(OC(=C4c(c5)ccc(c5)O)C(c(c3O4)c(cc(c3)O)O)=O)C(C2O)OC(=O)C=Cc(c1)ccc(c1)O)=O
M END
