Mol:FL3FAIGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-1.1366 -0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1366 -1.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4657 -1.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2052 -1.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2052 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4657 -0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8759 -1.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5468 -1.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5468 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8759 -0.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1313 -2.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2174 -0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9011 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5848 -0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5848 0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9011 1.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2174 0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4657 -2.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4041 1.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8676 0.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0492 0.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4102 -0.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4900 -0.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6020 -0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2472 0.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1872 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7417 -0.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3431 -0.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7550 -0.8095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5096 -1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9900 -2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0662 -2.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1367 -2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6562 -1.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5801 -1.9970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3468 -1.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6619 -2.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6094 -2.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1367 -3.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8581 0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9472 1.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4536 -0.5599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7417 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9227 2.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5004 3.3759 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
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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
20 1 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 29 1 0 0 0 0
24 20 1 0 0 0 0
40 41 1 0 0 0 0
26 40 1 0 0 0 0
42 43 1 0 0 0 0
14 42 1 0 0 0 0
44 45 1 0 0 0 0
16 44 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 0.6709 -0.7095
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 OCH3
M SBV 2 47 -0.8688 0.5225
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 44 45
M SBL 3 1 49
M SMT 3 OCH3
M SBV 3 49 -0.0217 -0.8587
S SKP 5
ID FL3FAIGS0004
FORMULA C29H34O16
EXACTMASS 638.18468504
AVERAGEMASS 638.57066
SMILES c(OC)(c1)c(c(OC)cc1C(O2)=CC(c(c(O)3)c2cc(OC(O5)C(C(C(O)C5CO)O)OC(O4)C(O)C(C(C4C)O)O)c3)=O)O
M END
