Mol:FL5FAAGA0044
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
-3.3868 0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3868 -0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6724 -0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9580 -0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9580 0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6724 0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2436 -0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5292 -0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5292 0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2436 0.8586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2436 -1.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3703 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0983 0.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8264 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8264 1.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0983 2.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3703 1.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6724 -1.6157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6057 2.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0489 1.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2790 -0.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8936 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1832 -1.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4086 -2.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1832 -3.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8936 -3.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6682 -2.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7941 -1.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7565 -3.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3905 -3.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5878 -4.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9133 -4.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1273 -3.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9133 -3.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5878 -2.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3738 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3424 -2.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9654 -2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9585 -2.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2180 -4.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1473 -4.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1466 -2.9769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4118 -2.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1594 -3.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3925 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1107 -1.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8042 -1.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8042 -2.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5620 -3.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3198 -2.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3198 -1.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5620 -1.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0768 -3.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7565 2.3094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0272 1.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2586 2.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0272 3.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7565 3.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5252 3.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5238 4.5053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0040 4.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7416 2.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1241 3.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0768 2.8100 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
21 8 1 0 0 0 0
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
26 29 1 0 0 0 0
25 30 1 0 0 0 0
23 21 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
36 39 1 0 0 0 0
31 40 1 0 0 0 0
32 41 1 0 0 0 0
41 30 1 0 0 0 0
27 42 1 0 0 0 0
29 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 2 0 0 0 0
46 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 47 1 0 0 0 0
50 53 1 0 0 0 0
55 54 1 1 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 1 0 0 0
59 54 1 1 0 0 0
58 60 1 0 0 0 0
57 61 1 0 0 0 0
56 62 1 0 0 0 0
55 20 1 0 0 0 0
63 64 1 0 0 0 0
59 63 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 63 64
M SBL 1 1 70
M SMT 1 ^ CH2OH
M SBV 1 70 0.5989 -0.5471
S SKP 5
ID FL5FAAGA0044
FORMULA C42H46O22
EXACTMASS 902.248073156
AVERAGEMASS 902.80144
SMILES O=C(OC(C(COC(O7)C(C(C(O)C7C)O)O)6)C(O)C(O)C(O6)OC(C(=O)2)=C(c(c5)ccc(O)c5)Oc(c3)c(c(O)cc3OC(O4)C(C(O)C(C4CO)O)O)2)C=Cc(c1)ccc(c1)O
M END
