Mol:FLIC1LNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9047 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9047 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9047 0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9047 0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4043 0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4043 0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9038 0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9038 0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9038 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9038 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4043 1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4043 1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4034 0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4034 0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0971 0.3804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.0971 0.3804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.0971 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0971 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4034 1.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4034 1.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5972 0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5972 0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5972 -0.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5972 -0.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0613 -0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0613 -0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5254 -0.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5254 -0.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5254 0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5254 0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0613 0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0613 0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3459 1.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3459 1.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0613 -1.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0613 -1.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4518 0.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4518 0.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3914 -0.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3914 -0.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2574 -1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2574 -1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2722 -1.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2722 -1.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1735 -1.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1735 -1.9921 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -0.1173 -0.2993 | + | M SVB 2 24 -0.1173 -0.2993 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 1.6314 -0.6506 | + | M SVB 1 22 1.6314 -0.6506 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNS0001 | + | ID FLIC1LNS0001 |
| − | KNApSAcK_ID C00002551 | + | KNApSAcK_ID C00002551 |
| − | NAME (-)-Mucronulatol | + | NAME (-)-Mucronulatol |
| − | CAS_RN 20878-97-1 | + | CAS_RN 20878-97-1 |
| − | FORMULA C17H18O5 | + | FORMULA C17H18O5 |
| − | EXACTMASS 302.115423686 | + | EXACTMASS 302.115423686 |
| − | AVERAGEMASS 302.32182 | + | AVERAGEMASS 302.32182 |
| − | SMILES COc(c3)c(O)c(OC)c(c3)[C@@]([H])(C1)Cc(c2)c(cc(O)c2)O1 | + | SMILES COc(c3)c(O)c(OC)c(c3)[C@@]([H])(C1)Cc(c2)c(cc(O)c2)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.9047 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9047 0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4043 0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4043 1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4034 0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0971 0.3804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0971 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4034 1.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5972 0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5972 -0.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0613 -0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5254 -0.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5254 0.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0613 0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3459 1.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0613 -1.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4518 0.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3914 -0.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2574 -1.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2722 -1.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1735 -1.9921 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
1 17 1 0 0 0 0
13 18 1 0 0 0 0
8 19 1 1 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
12 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -0.1173 -0.2993
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 1.6314 -0.6506
S SKP 8
ID FLIC1LNS0001
KNApSAcK_ID C00002551
NAME (-)-Mucronulatol
CAS_RN 20878-97-1
FORMULA C17H18O5
EXACTMASS 302.115423686
AVERAGEMASS 302.32182
SMILES COc(c3)c(O)c(OC)c(c3)[C@@]([H])(C1)Cc(c2)c(cc(O)c2)O1
M END
