Mol:FL7AAGGL0028
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-2.2767 1.7634 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2767 0.9336 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5581 0.5187 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8394 0.9336 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8394 1.7634 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5581 2.1782 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1208 0.5187 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5978 0.9336 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5978 1.7634 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1208 2.1782 -0.0882 O 0 3 0 0 0 0 0 0 0 0 0 0
1.3162 2.1781 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0485 1.7553 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7809 2.1781 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7809 3.0238 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0485 3.4466 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3162 3.0238 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9950 2.1781 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5131 3.4466 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5581 -0.3108 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5079 0.4137 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3962 -1.4282 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0497 -2.0283 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7160 -1.8379 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3863 -2.0283 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7329 -1.4282 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0665 -1.6186 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7127 -1.6226 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6069 0.6832 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1167 0.1931 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8098 0.2047 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4079 -0.1528 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8980 0.3372 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2051 0.3259 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9433 0.7010 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8626 0.7537 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5324 0.1431 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0642 -0.1124 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5006 -0.7198 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4244 -1.9692 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2959 -2.4320 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4097 -2.7189 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0485 4.2921 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0692 -0.2577 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5897 -0.8905 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8992 -0.6221 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2329 -0.6149 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7171 -0.1306 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3211 -0.4494 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7329 -0.6408 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2120 -0.9283 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2134 -1.1845 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0310 -2.7390 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5016 -3.5541 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2353 -2.7426 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8395 -3.5718 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0905 -3.5753 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3244 -2.8661 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1544 -2.8699 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5693 -3.5829 0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1544 -4.2921 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3244 -4.2884 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3984 -3.5868 0.0509 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5131 1.7554 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9170 0.1704 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8876 -0.1056 -0.0882 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
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
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 20 1 0 0 0 0
15 42 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 19 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 56 1 0 0 0 0
59 62 1 0 0 0 0
39 52 1 0 0 0 0
13 63 1 0 0 0 0
64 65 1 0 0 0 0
48 64 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 64 65
M SBL 1 1 71
M SMT 1 ^CH2OH
M SBV 1 71 0.5959 -0.6198
S SKP 5
ID FL7AAGGL0028
FORMULA C42H47O23
EXACTMASS 919.25081281
AVERAGEMASS 919.8087800000001
SMILES C(=Cc(c7)ccc(O)c7)C(OC(C(O)6)C(OC(C(O)6)OCC(O1)C(O)C(C(C1Oc(c3c(c5)cc(c(c(O)5)O)O)cc(c2OC(C4O)OC(C(C(O)4)O)CO)c([o+1]3)cc(c2)O)O)O)C)=O
M END
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