Mol:FL5FCAGL0008
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-4.7626 1.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7626 1.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0515 0.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3405 1.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3405 1.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0515 2.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6294 0.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9184 1.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9184 1.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6294 2.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6294 -0.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2087 2.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4840 1.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2406 2.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2406 3.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4840 3.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2087 3.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0515 -0.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0164 3.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2164 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6778 -0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3850 -0.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1606 -0.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3850 -1.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6778 -2.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9021 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8811 0.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2153 -1.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9897 -2.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6073 1.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1288 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9492 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6711 1.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4955 1.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1288 1.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9492 0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9492 1.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4132 -0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8774 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4668 -1.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6120 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0015 -1.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7247 -1.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1373 -2.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9624 -2.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3749 -1.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9624 -0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1373 -0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0645 -1.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4255 2.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0645 3.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4369 -2.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7608 -3.6007 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
4 3 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 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 30 1 0 0 0 0
31 35 1 0 0 0 0
32 36 1 0 0 0 0
32 37 1 0 0 0 0
30 27 1 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
41 42 2 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 43 1 0 0 0 0
46 49 1 0 0 0 0
50 51 1 0 0 0 0
1 50 1 0 0 0 0
52 53 1 0 0 0 0
24 52 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 ^ OCH3
M SBV 1 56 0.6630 -0.3828
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 0.0518 0.7027
S SKP 5
ID FL5FCAGL0008
FORMULA C36H36O17
EXACTMASS 740.1952497259999
AVERAGEMASS 740.66084
SMILES c(c12)(cc(cc1OC(c(c6)ccc(c6)O)=C(OC(C3OC(C(O)4)OCC(O)(COC(C=Cc(c5)ccc(O)c5)=O)4)OC(CO)C(C(O)3)O)C2=O)OC)O
M END
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