Mol:FLIB1LNF0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1455 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1455 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1455 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1455 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5892 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5892 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0329 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0329 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0329 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0329 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5892 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5892 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4766 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4766 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0797 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0797 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0797 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0797 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4766 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4766 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6358 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6358 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6358 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6358 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2306 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2306 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8253 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8253 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8253 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8253 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2306 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2306 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4766 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4766 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7564 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7564 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1340 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1340 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7564 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7564 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6913 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6913 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5573 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5573 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4196 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4196 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1340 -0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1340 -0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6915 -1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6915 -1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3430 -2.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3430 -2.1398 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 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 |
| − | 7 17 2 0 0 0 0 | + | 7 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 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 12 25 1 0 0 0 0 | + | 12 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 28 -0.0787 -0.6069 | + | M SVB 3 28 -0.0787 -0.6069 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 2.4196 0.3535 | + | M SVB 2 26 2.4196 0.3535 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 2.0623 -0.8826 | + | M SVB 1 24 2.0623 -0.8826 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIB1LNF0004 | + | ID FLIB1LNF0004 |
| − | KNApSAcK_ID C00009550 | + | KNApSAcK_ID C00009550 |
| − | NAME Ambonone | + | NAME Ambonone |
| − | CAS_RN 76165-17-8 | + | CAS_RN 76165-17-8 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES COc(c1)c(C(C(=O)2)COc(c3)c2cc(c4)c(oc4)3)cc(OC)c1OC | + | SMILES COc(c1)c(C(C(=O)2)COc(c3)c2cc(c4)c(oc4)3)cc(OC)c1OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.1455 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1455 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5892 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5892 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4766 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0797 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4766 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6358 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6358 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2306 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8253 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8253 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2306 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4766 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7564 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1340 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7564 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6913 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5573 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4196 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1340 -0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6915 -1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3430 -2.1398 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 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 2 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
12 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 -0.0787 -0.6069
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 2.4196 0.3535
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 2.0623 -0.8826
S SKP 8
ID FLIB1LNF0004
KNApSAcK_ID C00009550
NAME Ambonone
CAS_RN 76165-17-8
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES COc(c1)c(C(C(=O)2)COc(c3)c2cc(c4)c(oc4)3)cc(OC)c1OC
M END
