Mol:FLIHBCNP0002
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 |
| − | -1.4278 1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4278 1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4278 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4278 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8715 0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8715 0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3152 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3152 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3152 1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3152 1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8715 1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8715 1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2411 0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2411 0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7974 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7974 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7974 1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7974 1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2411 1.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2411 1.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3535 0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3535 0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3535 -0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3535 -0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9483 -0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9483 -0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5431 -0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5431 -0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5431 0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5431 0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9483 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9483 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3535 1.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3535 1.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9841 1.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9841 1.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5404 1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5404 1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5404 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5404 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9841 0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9841 0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5404 1.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5404 1.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0535 0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0535 0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0911 -1.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0911 -1.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7741 -1.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7741 -1.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0535 -1.0508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0535 -1.0508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1953 -0.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1953 -0.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5192 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5192 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3079 -0.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3079 -0.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5934 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5934 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 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 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 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 |
| − | 7 27 1 0 0 0 0 | + | 7 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 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 -5.2220 5.0853 | + | M SBV 1 31 -5.2220 5.0853 |
| − | 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 -5.2220 5.0853 | + | M SBV 2 33 -5.2220 5.0853 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIHBCNP0002 | + | ID FLIHBCNP0002 |
| − | KNApSAcK_ID C00009790 | + | KNApSAcK_ID C00009790 |
| − | NAME Robustin methyl ether | + | NAME Robustin methyl ether |
| − | CAS_RN 22044-62-8 | + | CAS_RN 22044-62-8 |
| − | FORMULA C23H20O7 | + | FORMULA C23H20O7 |
| − | EXACTMASS 408.120902994 | + | EXACTMASS 408.120902994 |
| − | AVERAGEMASS 408.40070000000003 | + | AVERAGEMASS 408.40070000000003 |
| − | SMILES c(c5)(ccc(c54)OCO4)C(=C1OC)C(=O)Oc(c2)c(c(OC)c(C=3)c2OC(C3)(C)C)1 | + | SMILES c(c5)(ccc(c54)OCO4)C(=C1OC)C(=O)Oc(c2)c(c(OC)c(C=3)c2OC(C3)(C)C)1 |
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
-1.4278 1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4278 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8715 0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3152 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3152 1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8715 1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2411 0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7974 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7974 1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2411 1.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3535 0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3535 -0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9483 -0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5431 -0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5431 0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9483 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3535 1.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9841 1.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5404 1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5404 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9841 0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5404 1.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0535 0.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0911 -1.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7741 -1.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0535 -1.0508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1953 -0.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5192 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3079 -0.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5934 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
1 2 1 0 0 0 0
9 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 2 1 0 0 0 0
19 22 1 0 0 0 0
19 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
7 27 1 0 0 0 0
27 28 1 0 0 0 0
3 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 -5.2220 5.0853
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 -5.2220 5.0853
S SKP 8
ID FLIHBCNP0002
KNApSAcK_ID C00009790
NAME Robustin methyl ether
CAS_RN 22044-62-8
FORMULA C23H20O7
EXACTMASS 408.120902994
AVERAGEMASS 408.40070000000003
SMILES c(c5)(ccc(c54)OCO4)C(=C1OC)C(=O)Oc(c2)c(c(OC)c(C=3)c2OC(C3)(C)C)1
M END
