Mol:FL2FALNI0016
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2001 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2001 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1583 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1583 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1583 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1583 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2001 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2001 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1166 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1166 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1166 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1166 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4038 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4038 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9382 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9382 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4725 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4725 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4725 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4725 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9382 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9382 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4038 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4038 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7205 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7205 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1297 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1297 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9382 -0.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9382 -0.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1996 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1996 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1996 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1996 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7200 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7200 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0060 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0060 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7205 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7205 0.5128 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 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 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 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 15 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 29 -7.8764 4.5634 | + | M SBV 1 29 -7.8764 4.5634 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0016 | + | ID FL2FALNI0016 |
| − | KNApSAcK_ID C00008502 | + | KNApSAcK_ID C00008502 |
| − | NAME Kenusanone D | + | NAME Kenusanone D |
| − | CAS_RN 144161-81-9 | + | CAS_RN 144161-81-9 |
| − | FORMULA C21H22O7 | + | FORMULA C21H22O7 |
| − | EXACTMASS 386.136553058 | + | EXACTMASS 386.136553058 |
| − | AVERAGEMASS 386.39518 | + | AVERAGEMASS 386.39518 |
| − | SMILES O(C(c(c3O)c(cc(c3)OC)O)2)c(c(CC=C(C)C)1)c(C(=O)C2)c(cc(O)1)O | + | SMILES O(C(c(c3O)c(cc(c3)OC)O)2)c(c(CC=C(C)C)1)c(C(=O)C2)c(cc(O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-2.2001 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2001 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7205 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1297 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 -0.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1996 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1996 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7200 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0060 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7205 0.5128 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
6 19 1 0 0 0 0
17 20 1 0 0 0 0
13 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
15 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SBV 1 29 -7.8764 4.5634
S SKP 8
ID FL2FALNI0016
KNApSAcK_ID C00008502
NAME Kenusanone D
CAS_RN 144161-81-9
FORMULA C21H22O7
EXACTMASS 386.136553058
AVERAGEMASS 386.39518
SMILES O(C(c(c3O)c(cc(c3)OC)O)2)c(c(CC=C(C)C)1)c(C(=O)C2)c(cc(O)1)O
M END
