Mol:FLII1LNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5795 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5795 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5795 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5795 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0232 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0232 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4669 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4669 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4669 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4669 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0232 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0232 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9106 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9106 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3543 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3543 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9106 1.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9106 1.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2018 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2018 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2018 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2018 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7966 -0.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7966 -0.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3913 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3913 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3913 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3913 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7966 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7966 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9048 -0.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9048 -0.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1358 1.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1358 1.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9861 -0.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9861 -0.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5809 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5809 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5809 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5809 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9861 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9861 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5809 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5809 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1358 -0.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1358 -0.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0937 0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0937 0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5471 1.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5471 1.8499 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 |
| − | 9 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 10 2 0 0 0 0 | + | 15 10 2 0 0 0 0 |
| − | 7 16 1 0 0 0 0 | + | 7 16 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 17 1 1 0 0 0 0 | + | 17 1 1 0 0 0 0 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 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 14 1 0 0 0 0 | + | 21 14 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 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 1.0937 0.9586 | + | M SVB 1 27 1.0937 0.9586 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLII1LNP0001 | + | ID FLII1LNP0001 |
| − | KNApSAcK_ID C00009808 | + | KNApSAcK_ID C00009808 |
| − | NAME Neoraufurane | + | NAME Neoraufurane |
| − | CAS_RN 53734-76-2 | + | CAS_RN 53734-76-2 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES COc(c43)c(c1cc(OC(C=C4)(C)C)3)cc(c(c2)c(O)cc(O)c2)o1 | + | SMILES COc(c43)c(c1cc(OC(C=C4)(C)C)3)cc(c(c2)c(O)cc(O)c2)o1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.5795 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5795 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0232 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4669 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4669 0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0232 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9106 0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3543 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9106 1.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2018 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2018 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7966 -0.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3913 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3913 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7966 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9048 -0.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1358 1.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9861 -0.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5809 -0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5809 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9861 0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5809 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1358 -0.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0937 0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5471 1.8499 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
9 5 1 0 0 0 0
8 10 1 0 0 0 0
10 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 10 2 0 0 0 0
7 16 1 0 0 0 0
1 2 1 0 0 0 0
17 1 1 0 0 0 0
11 16 1 0 0 0 0
13 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 14 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 1.0937 0.9586
S SKP 8
ID FLII1LNP0001
KNApSAcK_ID C00009808
NAME Neoraufurane
CAS_RN 53734-76-2
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES COc(c43)c(c1cc(OC(C=C4)(C)C)3)cc(c(c2)c(O)cc(O)c2)o1
M END
