Mol:FL3FAADS0011
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
-0.6276 0.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6276 -0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0810 -0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7896 -0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7896 0.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0810 0.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4982 -0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2068 -0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2068 0.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4982 0.7895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4982 -1.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0810 -1.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0728 0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8194 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5661 0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5661 1.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8194 2.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0728 1.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3125 2.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5088 -0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8521 -0.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1953 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3020 -0.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9325 -0.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6419 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0587 -0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4736 -0.9694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4893 1.2210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5716 -0.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6609 -1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0041 -2.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3473 -1.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4540 -1.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0846 -1.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7939 -1.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1661 -1.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6656 -2.1710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9104 -2.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7208 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0640 0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4073 0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5139 0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1445 1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8538 1.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2348 1.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7323 0.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9518 0.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1600 0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1751 0.3461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2974 -1.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3125 -0.8701 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
2 23 1 0 0 0 0
1 28 1 0 0 0 0
22 29 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 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 29 1 0 0 0 0
39 40 1 1 0 0 0
40 41 1 1 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 39 1 0 0 0 0
39 45 1 0 0 0 0
40 46 1 0 0 0 0
41 47 1 0 0 0 0
42 28 1 0 0 0 0
48 49 1 0 0 0 0
25 48 1 0 0 0 0
50 51 1 0 0 0 0
35 50 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 48 49
M SBL 1 1 54
M SMT 1 ^CH2OH
M SBV 1 54 0.5181 -0.5181
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 50 51
M SBL 2 1 56
M SMT 2 ^CH2OH
M SBV 2 56 0.5034 -0.5034
S SKP 5
ID FL3FAADS0011
FORMULA C32H38O19
EXACTMASS 726.200729034
AVERAGEMASS 726.6327200000001
SMILES O(C1Oc(c4)c(c(c(C5=O)c(OC(c(c6)ccc(O)c6)=C5)4)O)C(C2OC(O3)C(C(C(C(CO)3)O)O)O)OC(CO)C(O)C2O)CC(O)C(C1O)O
M END
</pre>
