Mol:FLNAA9NP0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8657 0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8657 0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3094 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3094 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2467 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2467 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2467 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2467 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8234 -0.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8234 -0.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4002 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4002 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4002 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4002 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8234 0.9913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8234 0.9913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8655 0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8655 0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3094 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3094 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8234 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8234 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2705 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2705 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2705 -1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2705 -1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8234 -2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8234 -2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3764 -1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3764 -1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3764 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3764 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9765 0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9765 0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3094 1.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3094 1.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8657 1.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8657 1.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4220 0.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4220 0.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4220 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4220 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4216 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4216 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4216 -0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4216 -0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8655 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8655 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4220 2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4220 2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9004 1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9004 1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8655 -1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8655 -1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9765 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9765 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9595 0.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9595 0.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7862 -0.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7862 -0.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0717 -0.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0717 -0.8545 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 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 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 9 22 1 0 0 0 0 | + | 9 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 21 20 1 0 0 0 0 | + | 21 20 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 22 29 2 0 0 0 0 | + | 22 29 2 0 0 0 0 |
| − | 10 30 1 0 0 0 0 | + | 10 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 33 -5.3998 4.2277 | + | M SBV 1 33 -5.3998 4.2277 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAA9NP0004 | + | ID FLNAA9NP0004 |
| − | KNApSAcK_ID C00010215 | + | KNApSAcK_ID C00010215 |
| − | NAME Apetalolide | + | NAME Apetalolide |
| − | CAS_RN 22562-09-0 | + | CAS_RN 22562-09-0 |
| − | FORMULA C26H24O5 | + | FORMULA C26H24O5 |
| − | EXACTMASS 416.162373878 | + | EXACTMASS 416.162373878 |
| − | AVERAGEMASS 416.46576 | + | AVERAGEMASS 416.46576 |
| − | SMILES C(O4)(=O)C=C(c(c43)c(c(C(=O)C(C)=CC)c(c23)OC(C=C2)(C)C)OC)c(c1)cccc1 | + | SMILES C(O4)(=O)C=C(c(c43)c(c(C(=O)C(C)=CC)c(c23)OC(C=C2)(C)C)OC)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.8657 0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3094 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2467 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2467 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8234 -0.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4002 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4002 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8234 0.9913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8655 0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3094 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8234 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2705 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2705 -1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8234 -2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3764 -1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3764 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9765 0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3094 1.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8657 1.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4220 0.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4220 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 -0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8655 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4220 2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9004 1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8655 -1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9765 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9595 0.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7862 -0.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0717 -0.8545 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 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 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
2 18 1 0 0 0 0
18 19 2 0 0 0 0
20 1 1 0 0 0 0
19 21 1 0 0 0 0
9 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
21 20 1 0 0 0 0
21 25 1 0 0 0 0
21 26 1 0 0 0 0
24 27 1 0 0 0 0
23 28 1 0 0 0 0
22 29 2 0 0 0 0
10 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 -5.3998 4.2277
S SKP 8
ID FLNAA9NP0004
KNApSAcK_ID C00010215
NAME Apetalolide
CAS_RN 22562-09-0
FORMULA C26H24O5
EXACTMASS 416.162373878
AVERAGEMASS 416.46576
SMILES C(O4)(=O)C=C(c(c43)c(c(C(=O)C(C)=CC)c(c23)OC(C=C2)(C)C)OC)c(c1)cccc1
M END
