Mol:FL3FACDS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-3.1372 0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1372 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4228 -1.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7083 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7083 0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4228 0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9939 -1.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2794 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2794 0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9939 0.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9939 -1.8694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4228 -2.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5938 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3467 0.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0995 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0995 1.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3467 1.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5938 1.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0136 2.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9215 -0.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2593 -1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5971 -0.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6964 -1.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3321 -0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0474 -0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4775 -0.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0195 -1.3538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8722 0.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0804 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5839 0.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7098 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3234 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0664 0.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8138 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2003 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4573 0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0382 0.5146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9082 0.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7508 0.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5600 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4775 -0.6843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5205 -0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2698 0.3983 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
3 12 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 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
2 23 1 0 0 0 0
1 28 1 0 0 0 0
22 29 1 0 0 0 0
15 30 1 0 0 0 0
31 32 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 31 1 0 0 0 0
31 37 1 0 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
32 30 1 0 0 0 0
40 41 1 0 0 0 0
34 40 1 0 0 0 0
42 43 1 0 0 0 0
25 42 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 -0.7461 0.0000
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 ^CH2OH
M SBV 2 47 0.4732 -0.4732
S SKP 5
ID FL3FACDS0007
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES OCC(O1)C(O)C(O)C(C(c(c2O)c(cc(O3)c(C(C=C3c(c4)ccc(O)c4OC(O5)C(C(C(O)C(CO)5)O)O)=O)2)O)1)O
M END
