Mol:FL7AAGGA0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.2559 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2559 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5414 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8270 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8270 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5414 1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1125 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3981 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3981 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1125 1.8417 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.3161 1.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0443 1.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 1.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0443 3.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3161 2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9701 1.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 3.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5414 -0.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1363 -0.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0443 3.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9383 -0.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4542 -0.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1972 -0.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9140 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3930 0.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7432 -0.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6101 -0.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5637 -0.9171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3381 -1.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4137 -1.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8412 -1.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4652 -2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8412 -3.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5932 -3.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9692 -2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5932 -1.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7197 -2.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9685 -3.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4660 -3.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9405 -1.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4993 1.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0525 -0.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9701 -0.6038 0.0000 O 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 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 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
15 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
23 28 1 0 0 0 0
24 29 1 0 0 0 0
20 22 1 0 0 0 0
28 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 32 1 0 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
34 40 1 0 0 0 0
25 41 1 0 0 0 0
13 42 1 0 0 0 0
43 44 1 0 0 0 0
26 43 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 48
M SMT 1 CH2OH
M SBV 1 48 -0.6594 0.0936
S SKP 5
ID FL7AAGGA0006
FORMULA C28H25O16
EXACTMASS 617.114259752
AVERAGEMASS 617.4885
SMILES C(O)C(O1)C(C(O)C(OC(c(c5)cc(O)c(O)c5O)=O)C(Oc(c4)c([o+1]c(c43)cc(O)cc3O)c(c2)cc(c(c2O)O)O)1)O
M END
