Mol:FL1DA9NI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 26 0 0 0 0 0 0 0 0999 V2000 | + | 25 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9268 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9268 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9268 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9268 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4620 -0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4620 -0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0027 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0027 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0027 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0027 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4620 0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4620 0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4620 -0.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4620 -0.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4671 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4671 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9303 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9303 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3936 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3936 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8568 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8568 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3200 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3200 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7832 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7832 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7832 0.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7832 0.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3200 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3200 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8568 0.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8568 0.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4671 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4671 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4671 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4671 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3912 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3912 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8556 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8556 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3200 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3200 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7832 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7832 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3200 -0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3200 -0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2840 0.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2840 0.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7839 1.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7839 1.8461 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 |
| − | 4 8 1 0 0 0 0 | + | 4 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 11 1 0 0 0 0 | + | 10 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 |
| − | 8 17 2 0 0 0 0 | + | 8 17 2 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -1.284 0.98 | + | M SVB 1 25 -1.284 0.98 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NI0002 | + | ID FL1DA9NI0002 |
| − | KNApSAcK_ID C00008005 | + | KNApSAcK_ID C00008005 |
| − | NAME 2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone | + | NAME 2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone |
| − | CAS_RN 85526-72-3 | + | CAS_RN 85526-72-3 |
| − | FORMULA C21H24O4 | + | FORMULA C21H24O4 |
| − | EXACTMASS 340.167459256 | + | EXACTMASS 340.167459256 |
| − | AVERAGEMASS 340.41285999999997 | + | AVERAGEMASS 340.41285999999997 |
| − | SMILES C(c(c1O)c(cc(c1C(=O)CCc(c2)cccc2)O)OC)C=C(C)C | + | SMILES C(c(c1O)c(cc(c1C(=O)CCc(c2)cccc2)O)OC)C=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
-0.9268 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9268 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4620 -0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0027 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0027 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4620 0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4620 -0.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4671 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9303 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3936 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8568 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3200 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7832 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7832 0.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3200 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8568 0.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4671 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4671 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3912 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8556 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3200 -0.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7832 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3200 -0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2840 0.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7839 1.8461 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
4 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 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
8 17 2 0 0 0 0
5 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -1.284 0.98
S SKP 8
ID FL1DA9NI0002
KNApSAcK_ID C00008005
NAME 2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone
CAS_RN 85526-72-3
FORMULA C21H24O4
EXACTMASS 340.167459256
AVERAGEMASS 340.41285999999997
SMILES C(c(c1O)c(cc(c1C(=O)CCc(c2)cccc2)O)OC)C=C(C)C
M END
