Mol:FL3FABGS0023
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
59 64 0 0 0 0 0 0 0 0999 V2000
0.1347 0.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1347 -0.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8492 -0.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5637 -0.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5637 0.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8492 0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2782 -0.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9926 -0.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9926 0.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2782 0.8561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7071 0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4216 0.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1360 0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1360 1.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4216 2.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7071 1.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2782 -1.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8492 -1.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8823 2.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5849 0.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5237 1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2582 1.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8456 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0472 0.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2537 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6663 1.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4647 1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7812 1.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3477 1.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7167 1.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6379 0.7061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5766 0.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3284 2.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9432 2.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7798 2.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1435 -1.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4288 -1.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6380 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4111 0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1259 -0.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9168 -1.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3541 -1.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4160 -2.4565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9051 -2.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4803 -2.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0159 -0.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0813 -1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7960 -0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5693 -1.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7785 -2.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0638 -2.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2905 -1.9390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3705 -2.3771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1698 -1.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5412 -0.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1615 -0.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8629 0.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5633 0.9710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5237 0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
19 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 20 1 0 0 0 0
29 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
36 37 1 1 0 0 0
37 38 1 1 0 0 0
39 38 1 1 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 36 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
36 44 1 0 0 0 0
37 45 1 0 0 0 0
38 46 1 0 0 0 0
39 31 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 1 0 0 0
50 49 1 1 0 0 0
51 50 1 1 0 0 0
51 52 1 0 0 0 0
52 47 1 0 0 0 0
50 53 1 0 0 0 0
49 54 1 0 0 0 0
48 55 1 0 0 0 0
47 56 1 0 0 0 0
51 43 1 0 0 0 0
55 57 1 0 0 0 0
57 58 2 0 0 0 0
57 59 1 0 0 0 0
S SKP 5
ID FL3FABGS0023
FORMULA C38H46O21
EXACTMASS 838.253158534
AVERAGEMASS 838.75924
SMILES O(C6C)C(C(O)C(C6OC(C)=O)O)OCC(O1)C(O)C(C(O)C(OC(C2O)C(O)C(Oc(c3)cc(O4)c(C(=O)C=C(c(c5)ccc(c5)OC)4)c(O)3)OC(COC(C)=O)2)1)O
M END
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