Mol:FLIB1LNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9669 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9669 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9669 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9669 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4106 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4106 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8543 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8543 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8543 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8543 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4106 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4106 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2980 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2980 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2583 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2583 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.2583 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2583 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2980 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2980 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8144 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8144 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8144 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8144 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4092 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4092 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0040 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0040 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0040 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0040 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4092 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4092 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2980 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2980 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5778 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5778 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9554 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9554 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5778 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5778 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8701 -1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8701 -1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8703 -2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8703 -2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8700 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8700 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7361 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7361 -1.6763 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 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 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 2.2409 -0.8826 | + | M SVB 2 26 2.2409 -0.8826 |
| − | 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 0.0999 -0.6069 | + | M SVB 1 24 0.0999 -0.6069 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIB1LNF0001 | + | ID FLIB1LNF0001 |
| − | KNApSAcK_ID C00009547 | + | KNApSAcK_ID C00009547 |
| − | NAME Neoraunone | + | NAME Neoraunone |
| − | CAS_RN 76165-16-7 | + | CAS_RN 76165-16-7 |
| − | FORMULA C19H16O5 | + | FORMULA C19H16O5 |
| − | EXACTMASS 324.099773622 | + | EXACTMASS 324.099773622 |
| − | AVERAGEMASS 324.32734 | + | AVERAGEMASS 324.32734 |
| − | SMILES c(c(C(C4=O)COc(c43)cc(c2c3)occ2)1)(OC)cc(OC)cc1 | + | SMILES c(c(C(C4=O)COc(c43)cc(c2c3)occ2)1)(OC)cc(OC)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.9669 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9669 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2583 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0040 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0040 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9554 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8701 -1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8703 -2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8700 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7361 -1.6763 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
12 21 1 0 0 0 0
21 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
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 2.2409 -0.8826
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 0.0999 -0.6069
S SKP 8
ID FLIB1LNF0001
KNApSAcK_ID C00009547
NAME Neoraunone
CAS_RN 76165-16-7
FORMULA C19H16O5
EXACTMASS 324.099773622
AVERAGEMASS 324.32734
SMILES c(c(C(C4=O)COc(c43)cc(c2c3)occ2)1)(OC)cc(OC)cc1
M END
