Mol:FL5FACGA0044
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
-2.2156 1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2156 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5011 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7865 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7865 1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5011 1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0720 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6425 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6425 1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0720 1.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0720 -0.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5422 1.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2703 1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9986 1.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9986 2.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2703 2.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5422 2.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5011 -0.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7780 3.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8778 1.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2703 3.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4935 -0.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1275 -1.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4170 -0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6424 -1.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4170 -2.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1275 -2.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9021 -2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0087 -0.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8576 -2.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5418 -3.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3337 -3.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3408 -3.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1267 -3.1649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3408 -2.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3337 -2.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1198 -2.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0671 -1.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3194 -1.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8064 -2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9023 -3.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9587 -3.6111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6211 -2.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3907 -2.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6082 -1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3805 -2.3851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3723 1.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6977 1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9118 2.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6977 3.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3723 3.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1583 2.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1469 3.9139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6977 3.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7225 3.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0225 1.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2953 -1.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2953 -0.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0225 0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0225 0.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2953 1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5682 0.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5682 0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2953 2.1752 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
1 20 1 0 0 0 0
16 21 1 0 0 0 0
22 8 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
27 30 1 0 0 0 0
26 31 1 0 0 0 0
24 22 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
33 42 1 0 0 0 0
42 31 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
30 43 1 0 0 0 0
28 46 1 0 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 1 0 0 0
52 47 1 1 0 0 0
51 53 1 0 0 0 0
50 54 1 0 0 0 0
52 55 1 0 0 0 0
47 56 1 0 0 0 0
48 20 1 0 0 0 0
45 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 62 1 0 0 0 0
62 63 2 0 0 0 0
63 58 1 0 0 0 0
61 64 1 0 0 0 0
S SKP 5
ID FL5FACGA0044
FORMULA C42H46O22
EXACTMASS 902.248073156
AVERAGEMASS 902.80144
SMILES c(c7O)cc(cc7)C=CC(OC(C6O)C(OC(C6O)OC(=C(c(c5)ccc(O)c5O)4)C(c(c(O4)2)c(O)cc(OC(C3O)OC(C(C3O)O)C)c2)=O)COC(O1)C(C(O)C(C1C)O)O)=O
M END
