Mol:FLIA1LNP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0473 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0473 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0473 -0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0473 -0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4910 -0.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4910 -0.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9347 -0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9347 -0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9347 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9347 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4910 0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4910 0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3784 -0.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3784 -0.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1779 -0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1779 -0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1779 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1779 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3784 0.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3784 0.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7340 -0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7340 -0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7340 -1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7340 -1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3287 -1.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3287 -1.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9235 -1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9235 -1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9235 -0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9235 -0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3287 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3287 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3784 -1.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3784 -1.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6037 0.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6037 0.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4910 1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4910 1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0473 1.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0473 1.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6037 1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6037 1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2322 1.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2322 1.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1434 1.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1434 1.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7896 -1.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7896 -1.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4411 -2.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4411 -2.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7895 -1.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7895 -1.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6555 -2.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6555 -2.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5177 -0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5177 -0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2322 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2322 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 28 29 | + | M SAL 3 2 28 29 |
| − | M SBL 3 1 31 | + | M SBL 3 1 31 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 31 2.5177 -0.2375 | + | M SVB 3 31 2.5177 -0.2375 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 2.1605 -1.4736 | + | M SVB 2 29 2.1605 -1.4736 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 0.0195 -1.1979 | + | M SVB 1 27 0.0195 -1.1979 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1LNP0003 | + | ID FLIA1LNP0003 |
| − | KNApSAcK_ID C00009444 | + | KNApSAcK_ID C00009444 |
| − | NAME Barbigerone;Lonchocarpusone | + | NAME Barbigerone;Lonchocarpusone |
| − | CAS_RN 75425-27-3 | + | CAS_RN 75425-27-3 |
| − | FORMULA C23H22O6 | + | FORMULA C23H22O6 |
| − | EXACTMASS 394.141638436 | + | EXACTMASS 394.141638436 |
| − | AVERAGEMASS 394.41718000000003 | + | AVERAGEMASS 394.41718000000003 |
| − | SMILES C(c(c4)c(OC)cc(OC)c4OC)(=C3)C(c(c(O3)1)ccc(O2)c(C=CC(C)(C)2)1)=O | + | SMILES C(c(c4)c(OC)cc(OC)c4OC)(=C3)C(c(c(O3)1)ccc(O2)c(C=CC(C)(C)2)1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-2.0473 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0473 -0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 -0.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9347 -0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9347 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3784 -0.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1779 -0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1779 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3784 0.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 -0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 -1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3287 -1.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9235 -1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9235 -0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3287 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3784 -1.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6037 0.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0473 1.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6037 1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2322 1.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1434 1.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7896 -1.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4411 -2.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7895 -1.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6555 -2.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5177 -0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2322 -0.6500 0.0000 C 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 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
7 17 2 0 0 0 0
18 1 1 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
12 24 1 0 0 0 0
24 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
15 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 28 29
M SBL 3 1 31
M SMT 3 OCH3
M SVB 3 31 2.5177 -0.2375
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 2.1605 -1.4736
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 0.0195 -1.1979
S SKP 8
ID FLIA1LNP0003
KNApSAcK_ID C00009444
NAME Barbigerone;Lonchocarpusone
CAS_RN 75425-27-3
FORMULA C23H22O6
EXACTMASS 394.141638436
AVERAGEMASS 394.41718000000003
SMILES C(c(c4)c(OC)cc(OC)c4OC)(=C3)C(c(c(O3)1)ccc(O2)c(C=CC(C)(C)2)1)=O
M END
