Mol:FL2FALNI0015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2004 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2004 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1586 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1586 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1586 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1586 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2004 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2004 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6377 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6377 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1168 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1168 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1168 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.1168 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6377 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6377 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4036 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4036 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6377 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6377 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9379 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9379 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4723 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4723 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4723 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4723 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9379 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9379 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4036 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4036 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1299 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1299 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9379 -0.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9379 -0.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1998 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1998 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1998 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1998 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7202 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7202 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0057 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0057 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7202 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7202 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5576 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5576 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0576 1.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0576 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 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 6 28 1 0 0 0 0 | + | 6 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 -2.5576 0.3186 | + | M SVB 2 30 -2.5576 0.3186 |
| − | 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 2.0057 0.9253 | + | M SVB 1 28 2.0057 0.9253 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0015 | + | ID FL2FALNI0015 |
| − | KNApSAcK_ID C00008501 | + | KNApSAcK_ID C00008501 |
| − | NAME Kenusanone E | + | NAME Kenusanone E |
| − | CAS_RN 144161-82-0 | + | CAS_RN 144161-82-0 |
| − | FORMULA C22H24O7 | + | FORMULA C22H24O7 |
| − | EXACTMASS 400.152203122 | + | EXACTMASS 400.152203122 |
| − | AVERAGEMASS 400.42176000000006 | + | AVERAGEMASS 400.42176000000006 |
| − | SMILES C(C=C(C)C)c(c31)c(cc(O)c(C(=O)CC(O3)c(c2O)c(cc(c2)OC)O)1)OC | + | SMILES C(C=C(C)C)c(c31)c(cc(O)c(C(=O)CC(O3)c(c2O)c(cc(c2)OC)O)1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-2.2004 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1586 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1586 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2004 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6377 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1168 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1168 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6377 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4036 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6377 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9379 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9379 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4036 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1299 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9379 -0.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1998 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1998 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7202 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0057 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7202 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5576 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0576 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
17 19 1 0 0 0 0
13 20 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
6 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 -2.5576 0.3186
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 2.0057 0.9253
S SKP 8
ID FL2FALNI0015
KNApSAcK_ID C00008501
NAME Kenusanone E
CAS_RN 144161-82-0
FORMULA C22H24O7
EXACTMASS 400.152203122
AVERAGEMASS 400.42176000000006
SMILES C(C=C(C)C)c(c31)c(cc(O)c(C(=O)CC(O3)c(c2O)c(cc(c2)OC)O)1)OC
M END
