Mol:FL1CE9NI0002
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 27 28 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.5674 0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5674 0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5674 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5674 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1237 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1237 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6800 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6800 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6800 0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6800 0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1237 1.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1237 1.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3104 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3104 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8667 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8667 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7543 -0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7543 -0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1934 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1934 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7543 -0.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7543 -0.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1934 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1934 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3593 1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3593 1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9119 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9119 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9119 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9119 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3593 -0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3593 -0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3593 -0.7851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3593 -0.7851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4646 1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4646 1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4646 -0.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4646 -0.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0319 -0.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0319 -0.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0319 -1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0319 -1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5987 -0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5987 -0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5987 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5987 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1643 -0.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1643 -0.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6800 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6800 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7458 1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7458 1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4602 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4602 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 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 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 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 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 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 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 27 -4.4661 4.5446 | + | M SBV 1 27 -4.4661 4.5446 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CE9NI0002 | + | ID FL1CE9NI0002 |
| − | KNApSAcK_ID C00007106 | + | KNApSAcK_ID C00007106 |
| − | NAME 2',4'-Dihydroxy-6'-methoxy-3'-(2-methylbutyryloxy)chalcone | + | NAME 2',4'-Dihydroxy-6'-methoxy-3'-(2-methylbutyryloxy)chalcone |
| − | CAS_RN 116988-11-5 | + | CAS_RN 116988-11-5 |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES COc(c2)c(c(c(OC(=O)C(C)CC)c(O)2)O)C(=O)C=Cc(c1)cccc1 | + | SMILES COc(c2)c(c(c(OC(=O)C(C)CC)c(O)2)O)C(=O)C=Cc(c1)cccc1 |
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 28 0 0 0 0 0 0 0 0999 V2000
2.5674 0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5674 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1237 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6800 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6800 0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1237 1.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3104 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8667 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7543 -0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1934 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7543 -0.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1934 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3593 1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9119 0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9119 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3593 -0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3593 -0.7851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4646 1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4646 -0.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0319 -0.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0319 -1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5987 -0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5987 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1643 -0.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6800 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7458 1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4602 0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
14 18 1 0 0 0 0
19 15 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
12 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 27
M SMT 1 OCH3
M SBV 1 27 -4.4661 4.5446
S SKP 8
ID FL1CE9NI0002
KNApSAcK_ID C00007106
NAME 2',4'-Dihydroxy-6'-methoxy-3'-(2-methylbutyryloxy)chalcone
CAS_RN 116988-11-5
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES COc(c2)c(c(c(OC(=O)C(C)CC)c(O)2)O)C(=O)C=Cc(c1)cccc1
M END
