Mol:FL3FABGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-0.3604 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3604 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3406 -1.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0417 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0417 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3406 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7426 -1.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4437 -0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4437 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7426 0.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7426 -1.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1444 0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8589 0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5734 0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5734 1.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8589 1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1444 1.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0612 0.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3406 -1.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3349 0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6938 -0.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7707 0.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8798 0.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5271 0.8915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4701 0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1176 0.3961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5794 -0.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8806 -0.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8566 -1.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1995 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3611 -1.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5624 -1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7043 -1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4972 -0.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3205 -1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1186 -2.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5055 -1.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2548 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2766 -0.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3981 -1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2877 1.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9260 1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9517 1.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4114 2.0004 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
19 3 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
22 28 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 35 1 0 0 0 0
35 30 1 0 0 0 0
31 36 1 0 0 0 0
32 37 1 0 0 0 0
29 30 1 0 0 0 0
33 28 1 0 0 0 0
23 18 1 0 0 0 0
38 39 2 0 0 0 0
38 40 1 0 0 0 0
35 38 1 0 0 0 0
41 42 1 0 0 0 0
15 41 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
25 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 38 39 40
M SBL 1 1 44
M SMT 1 ^ COOH
M SBV 1 44 0.9343 -0.4491
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 OCH3
M SBV 2 46 -0.7143 -0.4125
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 3 43 44 45
M SBL 3 1 49
M SMT 3 ^ COOH
M SBV 3 49 0.4558 -0.5562
S SKP 5
ID FL3FABGS0007
FORMULA C28H28O17
EXACTMASS 636.1326494699999
AVERAGEMASS 636.51172
SMILES O(C)c(c5)ccc(c5)C(=C4)Oc(c(C4=O)3)cc(cc(O)3)OC(C1OC(O2)C(O)C(O)C(C(C(O)=O)2)O)OC(C(O)=O)C(C1O)O
M END
