Mol:FL2F19NI0005
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5764 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5764 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5346 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5346 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5346 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5346 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5764 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5764 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0137 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0137 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5072 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5072 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5072 -0.3386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5072 -0.3386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0137 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0137 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0275 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0275 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0137 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0137 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5619 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5619 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0962 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0962 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0962 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0962 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5619 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5619 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0275 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0275 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5759 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5759 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5759 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5759 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0962 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0962 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9336 0.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9336 0.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4336 1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4336 1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 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 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -1.9336 0.2801 | + | M SVB 1 25 -1.9336 0.2801 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F19NI0005 | + | ID FL2F19NI0005 |
| − | KNApSAcK_ID C00008393 | + | KNApSAcK_ID C00008393 |
| − | NAME Isoderricin A | + | NAME Isoderricin A |
| − | CAS_RN 38965-75-2 | + | CAS_RN 38965-75-2 |
| − | FORMULA C21H22O3 | + | FORMULA C21H22O3 |
| − | EXACTMASS 322.15689456999996 | + | EXACTMASS 322.15689456999996 |
| − | AVERAGEMASS 322.39758 | + | AVERAGEMASS 322.39758 |
| − | SMILES C(C1)(c(c3)cccc3)Oc(c(CC=C(C)C)2)c(ccc2OC)C(=O)1 | + | SMILES C(C1)(c(c3)cccc3)Oc(c(CC=C(C)C)2)c(ccc2OC)C(=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.5764 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5072 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5072 -0.3386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0137 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0962 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0962 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0962 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9336 0.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4336 1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
5 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -1.9336 0.2801
S SKP 8
ID FL2F19NI0005
KNApSAcK_ID C00008393
NAME Isoderricin A
CAS_RN 38965-75-2
FORMULA C21H22O3
EXACTMASS 322.15689456999996
AVERAGEMASS 322.39758
SMILES C(C1)(c(c3)cccc3)Oc(c(CC=C(C)C)2)c(ccc2OC)C(=O)1
M END
