Mol:FL2FALNI0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8431 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8431 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3222 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3222 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8014 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8014 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8014 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8014 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3222 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3222 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8431 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8431 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2805 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2805 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2404 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2404 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2404 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2404 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2805 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2805 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7608 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7608 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2805 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2805 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2951 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2951 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8295 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8295 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8295 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8295 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2951 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2951 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7608 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7608 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3222 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3222 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3630 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3630 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3222 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3222 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8426 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8426 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8426 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8426 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3630 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3630 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3222 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3222 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2273 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2273 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2004 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2004 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7005 1.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7005 1.1846 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 17 25 1 0 0 0 0 | + | 17 25 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -2.2004 0.3186 | + | M SVB 1 28 -2.2004 0.3186 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0011 | + | ID FL2FALNI0011 |
| − | KNApSAcK_ID C00008497 | + | KNApSAcK_ID C00008497 |
| − | NAME Kenusanone I | + | NAME Kenusanone I |
| − | CAS_RN 151782-74-0 | + | CAS_RN 151782-74-0 |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES COc(c3)c(c(O1)c(c(O)3)C(=O)CC1c(c2)c(O)cc(O)c2)CC=C(C)C | + | SMILES COc(c3)c(c(O1)c(c(O)3)C(=O)CC1c(c2)c(O)cc(O)c2)CC=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.8431 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3222 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8014 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8014 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3222 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8431 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2805 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2404 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2404 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2805 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7608 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2805 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2951 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8295 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8295 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2951 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7608 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3222 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3630 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3222 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3630 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3222 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2273 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2004 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7005 1.1846 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
2 18 1 0 0 0 0
15 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
17 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -2.2004 0.3186
S SKP 8
ID FL2FALNI0011
KNApSAcK_ID C00008497
NAME Kenusanone I
CAS_RN 151782-74-0
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES COc(c3)c(c(O1)c(c(O)3)C(=O)CC1c(c2)c(O)cc(O)c2)CC=C(C)C
M END
