Mol:FL5FFCGS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-0.7793 -0.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7793 -1.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0647 -1.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6498 -1.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6498 -0.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0647 -0.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3643 -1.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0789 -1.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0789 -0.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3643 -0.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3643 -2.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9786 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7068 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4351 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4351 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7068 1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9786 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0647 -2.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1090 1.0811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4151 -0.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8024 -2.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9894 -0.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5024 -0.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8011 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0703 -0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6162 -0.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3325 -0.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5941 -0.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2764 -0.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1092 -1.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3318 -1.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6978 -2.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9938 -2.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2855 -2.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9193 -1.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6234 -1.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2020 -1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3288 -2.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4016 -2.8586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2855 -3.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0647 0.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4959 1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7068 1.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2737 3.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8597 0.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1090 0.3788 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
20 1 1 0 0 0 0
21 8 1 0 0 0 0
4 3 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 30 1 0 0 0 0
25 20 1 0 0 0 0
41 42 1 0 0 0 0
6 41 1 0 0 0 0
43 44 1 0 0 0 0
16 43 1 0 0 0 0
45 46 1 0 0 0 0
27 45 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 OCH3
M SBV 1 46 0.0000 -0.7531
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 OCH3
M SBV 2 48 0.0000 -0.7618
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 45 46
M SBL 3 1 50
M SMT 3 ^ CH2OH
M SBV 3 50 0.5272 -0.4826
S SKP 5
ID FL5FFCGS0018
FORMULA C29H34O17
EXACTMASS 654.179599662
AVERAGEMASS 654.57006
SMILES c(c43)(O)cc(c(c3OC(c(c5)cc(c(O)c5)OC)=C(C4=O)O)OC)OC(O1)C(OC(O2)C(C(C(C2C)O)O)O)C(O)C(C1CO)O
M END
