Mol:FL3FAAGS0072
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
67 73 0 0 0 0 0 0 0 0999 V2000
0.4766 1.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4766 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1911 0.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9056 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9056 1.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1911 1.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6201 0.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3345 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3345 1.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6201 1.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0490 1.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7635 1.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4779 1.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4779 2.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7635 2.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0490 2.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6201 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1911 -0.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2242 2.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2430 1.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8455 1.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2618 0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5449 1.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7197 1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3032 1.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0203 1.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3040 1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3344 0.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0172 0.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7620 0.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0414 2.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8272 1.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7068 -1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8990 -1.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5228 -0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8248 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6326 -0.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0089 -0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6389 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8787 -2.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3742 -2.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6176 -0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9625 -0.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9278 -1.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1455 -2.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2065 -2.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8880 -2.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2592 -1.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0388 -1.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4482 -2.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2732 -2.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6888 -1.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2793 -0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4544 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5127 -1.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8111 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2275 -0.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5106 -0.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6854 -0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2689 0.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9860 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2697 0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2242 -0.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7665 -0.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8320 -0.4398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9808 1.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7961 0.6046 0.0000 O 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
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
27 31 2 0 0 0 0
27 32 1 0 0 0 0
24 20 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
35 42 1 0 0 0 0
39 43 2 0 0 0 0
39 44 1 0 0 0 0
36 30 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
54 49 1 0 0 0 0
52 55 1 0 0 0 0
42 45 1 0 0 0 0
56 57 1 1 0 0 0
57 58 1 1 0 0 0
59 58 1 1 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 56 1 0 0 0 0
61 62 1 0 0 0 0
56 63 1 0 0 0 0
57 64 1 0 0 0 0
58 65 1 0 0 0 0
62 66 2 0 0 0 0
62 67 1 0 0 0 0
59 29 1 0 0 0 0
S SKP 5
ID FL3FAAGS0072
FORMULA C42H40O25
EXACTMASS 944.1858668299999
AVERAGEMASS 944.752
SMILES C(OC(C(O)2)C(OC(C(OC(=O)C=Cc(c7)ccc(c7)O)6)OC(C(O)=O)C(O)C6O)C(Oc(c5)cc(c(c5O)3)OC(c(c4)ccc(O)c4)=CC(=O)3)OC(C(O)=O)2)(C(O)1)OC(C(C(O)1)O)C(O)=O
M END
