Mol:FLIBALCF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
38 42 0 0 0 0 0 0 0 0999 V2000
-2.9374 -0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9374 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3811 -1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8248 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8248 -0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3811 -0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2685 -1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7122 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7122 -0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2685 -0.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2685 -2.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4935 -0.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1357 2.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7413 1.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4844 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4775 0.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0142 0.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3192 1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5343 2.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7761 2.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1198 0.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3811 -2.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0736 -2.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5126 -2.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0988 -2.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0988 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5126 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0736 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6595 -2.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7426 -2.7484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1405 -2.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7426 -1.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8170 -2.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1552 -1.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1552 -2.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4935 -2.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8956 1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1811 1.3037 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 1 0 0 0 0
8 9 1 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
28 8 1 0 0 0 0
23 29 1 0 0 0 0
25 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 26 1 0 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
33 36 1 0 0 0 0
18 37 1 0 0 0 0
37 38 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 37 38
M SBL 1 1 41
M SMT 1 CH2OH
M SBV 1 41 -8.1609 5.7375
S SKP 8
ID FLIBALCF0001
KNApSAcK_ID C00006180
NAME Dalpanin
CAS_RN 37376-13-9
FORMULA C26H30O12
EXACTMASS 534.173726424
AVERAGEMASS 534.5092
SMILES OC(C1O)C(O)C(OC1c(c23)c(cc(O)c(C(C(c(c(O)4)cc(C5)c(OC(C(C)(C)O)5)c4)CO3)=O)2)O)CO
M END
