Mol:FL5FEAGL0004
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
55 60 0 0 0 0 0 0 0 0999 V2000
-1.4212 0.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 -0.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7067 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0077 -0.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0077 0.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7067 1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7222 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4367 -0.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4367 0.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7222 1.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7222 -1.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1509 1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8791 0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6073 1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6073 1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8791 2.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1509 1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1354 1.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3086 -0.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3352 2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8817 1.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3460 0.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5746 0.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8302 0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3710 1.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0460 0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6715 0.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2285 0.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9441 0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7067 -1.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1354 -0.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4653 -1.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6809 -2.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1086 -1.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4373 -1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1562 -0.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6173 -1.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0487 -2.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4326 -2.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2280 -1.6213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4159 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0296 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7726 -0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5199 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9064 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1634 -0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6379 -0.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7132 0.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6715 -0.3396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2314 -0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2314 -1.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4930 1.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5563 2.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4073 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2753 -2.4749 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
20 15 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 1 0 0 0 0
3 30 1 0 0 0 0
2 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 31 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 41 1 0 0 0 0
41 47 1 0 0 0 0
46 48 1 0 0 0 0
45 49 1 0 0 0 0
42 19 1 0 0 0 0
50 51 1 0 0 0 0
44 50 1 0 0 0 0
52 53 1 0 0 0 0
26 52 1 0 0 0 0
54 55 1 0 0 0 0
37 54 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 50 51
M SBL 1 1 56
M SMT 1 CH2OH
M SBV 1 56 -0.7115 -0.0356
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 52 53
M SBL 2 1 58
M SMT 2 ^ CH2OH
M SBV 2 58 0.4470 -0.5849
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 54 55
M SBL 3 1 60
M SMT 3 ^ CH2OH
M SBV 3 60 0.7900 -0.3325
S SKP 5
ID FL5FEAGL0004
FORMULA C33H40O22
EXACTMASS 788.201122964
AVERAGEMASS 788.6575
SMILES OC(C(CO)1)C(C(O)C(Oc(c5OC(C6O)OC(C(O)C6O)CO)c(O)c(c(c5)4)C(C(=C(O4)c(c3)ccc(O)c3)OC(C2O)OC(CO)C(O)C(O)2)=O)O1)O
M END
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