Mol:FL7AAGGL0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-3.0178 1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0178 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3030 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5883 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5883 1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3030 1.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8735 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1587 0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1587 1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8735 1.4146 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.5558 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2843 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0128 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0128 2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2843 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5558 2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7323 1.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7411 2.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3030 -1.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7606 -0.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2843 3.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4027 -2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0581 -2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7209 -2.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3876 -2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7323 -2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0696 -2.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7627 -2.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6655 -0.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1781 -0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8673 -0.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4622 -0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9497 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2606 -0.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9883 0.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9366 -0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5996 -0.7186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1881 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5191 -1.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4964 -2.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3230 -3.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3876 -3.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7411 0.9939 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
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0006
FORMULA C27H31O16
EXACTMASS 611.161209944
AVERAGEMASS 611.52544
SMILES C(Oc(c4)c([o+1]c(c5)c(c(cc5O)O)4)c(c3)cc(O)c(c(O)3)O)(O1)C(O)C(O)C(O)C(COC(O2)C(C(O)C(O)C2C)O)1
M END
