Mol:FL3FAICS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-2.3243 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3243 -1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6097 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8953 -1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8953 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6097 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1807 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5337 -1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5337 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1807 -0.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1807 -2.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0385 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3275 -0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0805 -0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8334 -0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8334 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0805 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3275 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9457 1.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4654 2.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2433 1.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9132 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9044 0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3094 0.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7011 1.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2247 2.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3155 0.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6097 -2.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7916 -1.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3148 -2.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6283 -2.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9658 -2.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4472 -1.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0478 -1.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6781 -1.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0580 -2.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1084 -2.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8500 2.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9457 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0580 -1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4567 1.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0344 2.8497 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
1 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
13 9 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
21 26 1 0 0 0 0
22 27 1 0 0 0 0
6 23 1 0 0 0 0
3 28 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 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 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 2 1 0 0 0 0
20 38 1 0 0 0 0
39 40 1 0 0 0 0
15 39 1 0 0 0 0
41 42 1 0 0 0 0
17 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 OCH3
M SBV 1 44 -1.1123 0.6421
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 -0.3762 -0.7471
S SKP 5
ID FL3FAICS0002
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(C5O)(OCC(C5O)O)c(c(O)1)c(O)c(C4=O)c(OC(=C4)c(c3)cc(OC)c(O)c(OC)3)c(C(O2)C(O)C(O)C(O)C2)1
M END
