Mol:FL7AAGGL0063
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
87 95 0 0 0 0 0 0 0 0999 V2000
-1.6060 3.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6060 2.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8916 1.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1771 2.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1771 3.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8916 3.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5374 1.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2518 2.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2518 3.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5374 3.4447 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.0284 3.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7428 3.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4573 3.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4573 4.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7428 4.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0284 4.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0975 4.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0209 1.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2451 3.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8916 1.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7428 5.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1636 3.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2604 -0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0821 -0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3722 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0155 0.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1937 0.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9035 0.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0352 -0.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2205 -1.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7305 -0.9157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2362 0.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4042 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4595 0.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6623 0.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6578 1.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2332 2.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0304 2.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0351 1.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8821 1.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4670 0.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8830 0.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9794 2.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7467 -1.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1594 -2.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3659 -2.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5676 -2.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1548 -1.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9484 -1.8317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5722 -3.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9438 -2.7961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 -2.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5019 -1.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9421 0.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6556 -0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3691 0.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6556 -1.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9443 -1.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9489 -2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6656 -2.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6702 -3.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9580 -3.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2413 -3.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2367 -2.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9626 -4.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8478 0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5452 0.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3037 1.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4981 2.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8008 1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0421 1.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3125 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9201 -0.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4242 0.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9102 2.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3716 -0.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9079 -0.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5739 -0.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9079 -1.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6830 -2.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6656 -2.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9406 -3.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9192 -4.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6228 -4.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3477 -4.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3691 -3.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6015 -5.4493 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 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
14 17 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
13 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 18 1 0 0 0 0
33 29 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
39 40 1 0 0 0 0
34 41 1 0 0 0 0
35 42 1 0 0 0 0
36 43 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
47 50 1 0 0 0 0
46 51 1 0 0 0 0
45 52 1 0 0 0 0
44 53 1 0 0 0 0
48 33 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 63 1 0 0 0 0
63 64 2 0 0 0 0
64 59 1 0 0 0 0
62 65 1 0 0 0 0
54 40 1 0 0 0 0
19 37 1 0 0 0 0
66 67 1 1 0 0 0
67 68 1 1 0 0 0
69 68 1 1 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
71 66 1 0 0 0 0
71 72 1 0 0 0 0
66 73 1 0 0 0 0
67 74 1 0 0 0 0
68 75 1 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
77 79 1 0 0 0 0
79 80 2 0 0 0 0
80 81 1 0 0 0 0
81 82 2 0 0 0 0
82 83 1 0 0 0 0
83 84 2 0 0 0 0
84 85 1 0 0 0 0
85 86 2 0 0 0 0
86 81 1 0 0 0 0
84 87 1 0 0 0 0
76 72 1 0 0 0 0
69 22 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0063
FORMULA C57H63O30
EXACTMASS 1227.3404156759998
AVERAGEMASS 1228.09212
SMILES Oc(c9)ccc(c9)C=CC(OCC(O1)C(C(C(O)C1Oc(c8)cc(O)c(c82)cc(OC(O6)C(O)C(O)C(C6COC(O7)C(O)C(C(C(C)7)O)O)O)c(c(c3)cc(c(c3OC(C5O)OC(C(C5O)O)COC(C=Cc(c4)ccc(c4)O)=O)O)O)[o+1]2)O)O)=O
M END
</pre>
