Mol:FL3FACCS0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.6504 -0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6504 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9360 -2.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2216 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2216 -0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9360 -0.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4929 -2.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2073 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2073 -0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4929 -0.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4929 -2.8839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3646 -0.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5609 2.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4072 1.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5457 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9473 0.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1346 0.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1027 1.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0354 2.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5147 0.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9360 -2.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0008 -0.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7538 -0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5066 -0.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5066 0.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7538 0.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0008 0.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2589 0.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2523 1.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8314 1.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1827 1.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7145 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1354 1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7841 1.3534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2589 2.0735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7879 2.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9966 0.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2589 -0.8045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6458 2.8839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6347 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1645 0.5787 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
6 16 1 0 0 0 0
3 21 1 0 0 0 0
22 23 2 0 0 0 0
23 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 22 1 0 0 0 0
22 9 1 0 0 0 0
25 28 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
30 35 1 0 0 0 0
31 36 1 0 0 0 0
32 37 1 0 0 0 0
20 33 1 0 0 0 0
24 38 1 0 0 0 0
13 39 1 0 0 0 0
40 41 1 0 0 0 0
18 40 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 CH2OH
M SBV 1 45 -0.7374 -0.1654
S SKP 5
ID FL3FACCS0024
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES OC(C(O)1)C(O)COC(OC(C5O)C(OC(C(O)5)CO)c(c4O)c(c(c(c4)O)2)OC(c(c3)ccc(O)c3O)=CC2=O)1
M END
