Mol:FL5FADGA0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-2.8578 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8578 -0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1461 -0.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4344 -0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4344 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1461 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7228 -0.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0111 -0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0111 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7228 0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7228 -1.5592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8851 0.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6105 0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3357 0.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3357 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6105 2.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8851 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1461 -1.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9500 2.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6476 -0.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5622 0.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8708 -1.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1564 -1.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9567 -1.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5345 -2.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2491 -1.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4487 -1.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2564 -0.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9174 -1.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5622 -1.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1247 -2.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3607 -3.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9229 -3.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7326 -3.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5139 -3.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9463 -2.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1192 -3.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3827 -2.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2335 -3.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3836 -3.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1858 -3.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6031 2.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1678 3.9612 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
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 8 1 0 0 0 0
4 3 1 0 0 0 0
1 21 1 0 0 0 0
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
25 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
41 31 1 0 0 0 0
23 20 1 0 0 0 0
42 43 1 0 0 0 0
16 42 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 0.0073 -0.6738
S SKP 5
ID FL5FADGA0002
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES C(O)(C(O)1)C(O)C(OC(C4=O)=C(Oc(c5)c(c(O)cc5O)4)c(c3)ccc(c3OC)O)OC(COC(O2)C(O)C(C(O)C2)O)1
M END
