Mol:FLIA1LNP0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 34 0 0 0 0 0 0 0 0999 V2000 | + | 30 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0473 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0473 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0473 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0473 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4910 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4910 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9347 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9347 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9347 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9347 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4910 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4910 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3784 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3784 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1779 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1779 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1779 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1779 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3784 0.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3784 0.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7340 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7340 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7340 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7340 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3287 -1.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3287 -1.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9235 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9235 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9235 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9235 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3287 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3287 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3784 -0.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3784 -0.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6037 0.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6037 0.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4910 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4910 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0473 1.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0473 1.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6037 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6037 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2322 1.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2322 1.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1434 2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1434 2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4715 -2.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4715 -2.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1546 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1546 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4339 -1.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4339 -1.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0195 -0.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0195 -0.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7340 -1.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7340 -1.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5177 -0.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5177 -0.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2322 -0.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2322 -0.4159 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 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 14 1 0 0 0 0 | + | 26 14 1 0 0 0 0 |
| − | 12 27 1 0 0 0 0 | + | 12 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 31 -6.6764 3.0995 | + | M SBV 1 31 -6.6764 3.0995 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 29 30 | + | M SAL 2 2 29 30 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 33 -5.3678 3.3731 | + | M SBV 2 33 -5.3678 3.3731 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1LNP0004 | + | ID FLIA1LNP0004 |
| − | KNApSAcK_ID C00009445 | + | KNApSAcK_ID C00009445 |
| − | NAME Ferrugone | + | NAME Ferrugone |
| − | CAS_RN 7731-08-0 | + | CAS_RN 7731-08-0 |
| − | FORMULA C23H20O7 | + | FORMULA C23H20O7 |
| − | EXACTMASS 408.120902994 | + | EXACTMASS 408.120902994 |
| − | AVERAGEMASS 408.40070000000003 | + | AVERAGEMASS 408.40070000000003 |
| − | SMILES O(C=3)c(c(C(C3c(c5OC)cc(OC)c(c54)OCO4)=O)2)c(C=1)c(cc2)OC(C1)(C)C | + | SMILES O(C=3)c(c(C(C3c(c5OC)cc(OC)c(c54)OCO4)=O)2)c(C=1)c(cc2)OC(C1)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-2.0473 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0473 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9347 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9347 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3784 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1779 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1779 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3784 0.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3287 -1.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9235 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9235 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3287 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3784 -0.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6037 0.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0473 1.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6037 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2322 1.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1434 2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4715 -2.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1546 -2.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4339 -1.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0195 -0.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 -1.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5177 -0.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2322 -0.4159 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
13 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 14 1 0 0 0 0
12 27 1 0 0 0 0
27 28 1 0 0 0 0
15 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 ^OCH3
M SBV 1 31 -6.6764 3.0995
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 33
M SMT 2 OCH3
M SBV 2 33 -5.3678 3.3731
S SKP 8
ID FLIA1LNP0004
KNApSAcK_ID C00009445
NAME Ferrugone
CAS_RN 7731-08-0
FORMULA C23H20O7
EXACTMASS 408.120902994
AVERAGEMASS 408.40070000000003
SMILES O(C=3)c(c(C(C3c(c5OC)cc(OC)c(c54)OCO4)=O)2)c(C=1)c(cc2)OC(C1)(C)C
M END
