Mol:FL7AEGGL0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-3.0797 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0797 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3649 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6501 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6501 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3649 1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9354 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2206 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2206 0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9354 1.0949 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.4939 1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2224 0.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9509 1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9509 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2224 2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4939 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7942 1.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6792 2.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3649 -1.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5928 -0.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2224 3.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4646 -2.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1200 -2.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7827 -2.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4494 -2.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7942 -2.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1314 -2.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8246 -2.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4027 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0655 -0.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7322 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0769 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4142 -0.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0675 -0.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8947 0.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7931 -0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3449 -0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6635 -1.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5789 -2.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3024 -2.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4494 -3.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6792 0.6742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7942 -0.5557 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 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
34 36 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
26 39 1 0 0 0 0
38 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
25 42 1 0 0 0 0
30 20 1 0 0 0 0
13 43 1 0 0 0 0
2 44 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AEGGL0001
FORMULA C27H31O17
EXACTMASS 627.156124566
AVERAGEMASS 627.52484
SMILES C(O)(C(Oc(c4)c([o+1]c(c5)c4c(O)c(O)c5O)c(c3)cc(O)c(c3O)O)1)C(O)C(O)C(COC(O2)C(C(O)C(O)C2C)O)O1
M END
