Mol:FL3FAIGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-0.3213 -0.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3213 -1.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3352 -1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9918 -1.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9918 -0.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3352 -0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6485 -1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3050 -1.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3050 -0.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6485 -0.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6522 -2.7347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9614 -0.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6305 -0.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2999 -0.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2999 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6305 0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9614 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3352 -2.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9637 0.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8647 -0.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8082 -0.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2078 -1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3431 -0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5087 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1149 -0.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8714 -0.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4091 0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4318 -0.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9156 -1.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6399 -1.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5046 0.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7730 -0.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0051 0.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7730 1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5046 1.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2725 1.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0394 0.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1113 2.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7276 2.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9911 1.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2450 0.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6366 1.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2021 2.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9843 -0.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2450 -1.5613 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
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
32 37 1 0 0 0 0
37 27 1 0 0 0 0
35 38 1 0 0 0 0
34 39 1 0 0 0 0
36 40 1 0 0 0 0
31 41 1 0 0 0 0
24 20 1 0 0 0 0
42 43 1 0 0 0 0
16 42 1 0 0 0 0
44 45 1 0 0 0 0
14 44 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 -0.0060 -0.6891
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 44 45
M SBL 2 1 49
M SMT 2 OCH3
M SBV 2 49 -0.6845 0.3786
S SKP 5
ID FL3FAIGS0008
FORMULA C29H34O16
EXACTMASS 638.18468504
AVERAGEMASS 638.57066
SMILES c(OC)(c1)c(c(OC)cc1C(O2)=CC(=O)c(c(O)3)c2cc(OC(C(O)4)OC(COC(O5)C(C(C(O)C(C)5)O)O)C(O)C(O)4)c3)O
M END
