Mol:FL7AAGGL0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-3.4799 2.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4799 1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7654 0.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0510 1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0510 2.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7654 2.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3365 0.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6220 1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6220 2.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3365 2.6429 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.0922 2.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8204 2.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5486 2.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5486 3.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8204 3.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0922 3.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1941 2.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2765 3.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7654 0.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3262 0.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8204 4.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2765 2.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7331 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0820 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2504 -0.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0260 -1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7331 -1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5089 -1.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6495 0.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0924 -1.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6601 -2.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2336 -2.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6734 0.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0632 -0.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8448 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5522 0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1296 0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4300 0.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4101 0.1379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4714 -0.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1941 0.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1560 -2.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3962 -4.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0067 -3.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7557 -3.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5090 -3.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8986 -4.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1497 -3.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5173 -3.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5995 -4.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3865 -4.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2760 -3.4944 0.0000 C 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
13 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
26 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
34 39 1 0 0 0 0
35 40 1 0 0 0 0
36 41 1 0 0 0 0
29 33 1 0 0 0 0
24 20 1 0 0 0 0
32 42 1 0 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
48 43 1 1 0 0 0
47 49 1 0 0 0 0
48 50 1 0 0 0 0
43 51 1 0 0 0 0
44 42 1 0 0 0 0
46 52 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0009
FORMULA C32H39O20
EXACTMASS 743.2034686879999
AVERAGEMASS 743.64006
SMILES Oc(c13)cc(O)cc([o+1]c(c(OC(C(OC(C6O)OCC(C6O)O)4)OC(COC(O5)C(O)C(O)C(C5C)O)C(C(O)4)O)c3)c(c2)cc(O)c(O)c(O)2)1
M END
