Mol:FL7AAAGL0050
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
63 69 0 0 0 0 0 0 0 0999 V2000
-2.5767 1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5767 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8008 0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0249 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0249 1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8008 2.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2490 0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5269 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5269 1.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2490 2.2654 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.3025 2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0933 1.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8841 2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8841 3.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0933 3.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3025 3.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3523 2.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6746 3.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8008 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4180 0.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3918 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0177 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7371 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4608 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8158 -0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1156 -1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6971 -1.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4586 0.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0845 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8039 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5277 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9019 0.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1825 0.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7873 0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6657 1.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5366 0.8577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1533 0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6682 -0.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4064 -1.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3741 -1.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4608 -2.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9817 -2.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4688 -3.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1221 -2.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7091 -2.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2891 -2.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6848 -2.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4761 -2.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8718 -2.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4761 -3.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6848 -3.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6619 -2.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2106 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5336 -1.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8886 -1.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1958 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8361 -0.8003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3769 -1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8158 -1.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2978 -1.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9889 -1.6223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2415 -0.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0909 -0.3504 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 20 1 0 0 0 0
39 42 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 46 1 0 0 0 0
49 52 1 0 0 0 0
53 54 1 1 0 0 0
54 55 1 1 0 0 0
56 55 1 1 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 53 1 0 0 0 0
53 59 1 0 0 0 0
54 60 1 0 0 0 0
55 61 1 0 0 0 0
56 19 1 0 0 0 0
62 63 1 0 0 0 0
58 62 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 62 63
M SBL 1 1 69
M SMT 1 ^CH2OH
M SBV 1 69 0.8646 -0.9512
S SKP 5
ID FL7AAAGL0050
FORMULA C42H47O21
EXACTMASS 887.2609835659999
AVERAGEMASS 887.80998
SMILES OC(C(O)3)C(C(OC3Oc(c7)c([o+1]c(c57)cc(O)cc5OC(O6)C(C(C(O)C(CO)6)O)O)c(c4)ccc(c4)O)COC(C(O)1)OC(C(OC(=O)C=Cc(c2)ccc(O)c2)C1O)C)O
M END
