Mol:FL4DAHGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-4.2902 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5862 -1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8823 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8823 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5862 -0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2902 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1783 -1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4744 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4744 -0.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1783 -0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1783 -2.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6909 -0.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0236 -0.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7381 -0.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7381 0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0236 1.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6909 0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8991 -0.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7371 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4526 1.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5862 -2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0249 1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6160 2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7404 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7336 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4697 0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3454 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3522 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5187 2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1056 1.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8991 0.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2302 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4766 -0.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6470 -1.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 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
6 18 1 0 0 0 0
8 19 1 0 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
20 24 1 0 0 0 0
25 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
26 32 1 0 0 0 0
33 34 1 0 0 0 0
14 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 37
M SMT 1 OCH3
M SBV 1 37 -0.7386 0.4502
S SKP 5
ID FL4DAHGS0001
FORMULA C22H24O12
EXACTMASS 480.126776232
AVERAGEMASS 480.41876
SMILES O(C)c(c2)c(c(cc(C(C3O)Oc(c4)c(c(O)cc4O)C3=O)2)O)OC(O1)C(C(C(O)C1C)O)O
M END
