Mol:FL4D1AGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-3.3703 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6559 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6559 0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3703 0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2271 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5128 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5128 0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2271 0.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2271 -1.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2823 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0073 0.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7324 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7324 1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0073 1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2823 1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1015 0.5772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3235 -1.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3514 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9389 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7321 -1.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5303 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9429 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1496 -0.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6085 -0.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6839 -0.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6015 -0.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4575 1.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1216 -1.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1015 -1.8216 0.0000 O 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 6 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 1 0 0 0
20 21 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 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
15 29 1 0 0 0 0
30 31 1 0 0 0 0
23 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 CH2OH
M SBV 1 34 -0.5914 -0.0737
S SKP 5
ID FL4D1AGS0001
FORMULA C21H22O10
EXACTMASS 434.121296924
AVERAGEMASS 434.39338
SMILES C(C1OC(C2=O)C(c(c4)ccc(O)c4)Oc(c3)c(ccc(O)3)2)(O)C(O)C(O)C(O1)CO
M END
