Mol:FL7AACGL0133
From Metabolomics.JP
FL7AACGL0133.mol
ChemDraw12051216113D
35 39 0 0 0 0 0 0 0 0999 V2000
0.0330 -0.8250 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6815 -0.4125 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3960 -0.8251 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6815 0.4126 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1105 -0.4124 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3960 -1.6501 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0331 0.8252 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3960 0.8251 -2.5960 O 0 3 0 0 0 5 0 0 0 0 0 0
-2.1105 0.4127 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8250 -0.8250 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1104 -2.0626 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0330 1.6501 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7475 0.4127 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8250 0.8252 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8250 -1.6500 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5395 -0.4125 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1104 -2.8876 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7475 2.0626 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 0.8251 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5395 0.4127 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 1.6502 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7475 2.8876 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2539 0.8252 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1764 2.0627 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2539 -1.6263 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7444 -1.0965 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8793 -0.5140 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4929 -1.1833 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2358 -0.9709 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9835 -1.1833 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3700 -0.5140 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6269 -0.7263 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1184 -0.5327 2.1664 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9328 -0.1964 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1638 -0.7267 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
3 5 1 0
3 6 1 0
4 7 1 0
4 8 2 0
5 9 2 0
5 10 1 0
6 11 2 0
7 12 1 0
7 13 2 0
8 9 1 0
9 14 1 0
10 15 1 0
10 16 2 0
11 15 1 0
11 17 1 0
12 18 2 0
13 19 1 0
14 20 2 0
16 20 1 0
18 21 1 0
18 22 1 0
19 21 2 0
20 23 1 0
21 24 1 0
27 28 1 0
28 29 1 1
29 30 1 1
31 30 1 1
31 32 1 0
32 27 1 0
27 33 1 0
32 34 1 0
30 26 1 0
31 35 1 0
25 26 1 0
1 28 1 0
M CHG 1 8 1
S SKP 5
ID FL7AACGL0133
FORMULA C24H23O11
EXACTMASS 487.124036578
AVERAGEMASS 487.43282
SMILES OCC(O1)C(O)C(O)C(O)C1Oc(c(c(c5)cc(O)c(O)c5)2)c(C=4)c(c3OC(C)4)c(cc(O)c3)[o+1]2
M END
