Mol:FL3FECGS0031
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-0.1179 -0.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1179 -1.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5595 -1.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2367 -1.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2367 -0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5595 -0.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9141 -1.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5914 -1.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5914 -0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9141 -0.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9141 -2.5130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2685 -0.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9588 -0.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6490 -0.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6490 0.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9588 0.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2685 0.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9588 1.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5595 -2.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7978 -0.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9918 -0.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3725 -0.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4805 -0.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6198 -0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2452 0.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0255 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4686 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6211 -0.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0067 -0.9582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7398 -1.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8190 0.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0644 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3038 0.8011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0644 1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8190 2.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5796 1.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1787 0.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5425 2.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0424 2.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3396 1.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4551 0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3824 0.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4551 -0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8196 -1.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8925 -1.2663 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
16 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 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
15 42 1 0 0 0 0
44 45 1 0 0 0 0
2 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 -0.7334 -0.1559
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 0.7017 0.3735
S SKP 5
ID FL3FECGS0031
FORMULA C29H34O16
EXACTMASS 638.18468504
AVERAGEMASS 638.57066
SMILES O(C=4c(c5)ccc(c(O)5)OC)c(c3C(C4)=O)cc(c(c(O)3)OC)OC(C(O)1)OC(COC(O2)C(C(C(O)C(C)2)O)O)C(O)C(O)1
M END
