Mol:FLNAA9NF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3924 0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3924 0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7200 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7200 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7200 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7200 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 -0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 -0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8735 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8735 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8735 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8735 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3924 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3924 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 -0.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 -0.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7438 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7438 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7438 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7438 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 -2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 -2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8497 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8497 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8497 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8497 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4498 0.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4498 0.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 -1.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 -1.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5043 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5043 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9485 -0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9485 -0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9771 -0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9771 -0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9485 -1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9485 -1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0304 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0304 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6085 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6085 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8697 0.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8697 0.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9295 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9295 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6085 2.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6085 2.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5716 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5716 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2761 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2761 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4498 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4498 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9771 -1.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9771 -1.0767 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 10 18 1 0 0 0 0 | + | 10 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 9 1 0 0 0 0 | + | 20 9 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 20 22 2 0 0 0 0 | + | 20 22 2 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 1 1 0 0 0 0 | + | 25 1 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 21 31 1 0 0 0 0 | + | 21 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAA9NF0001 | + | ID FLNAA9NF0001 |
| − | KNApSAcK_ID C00010224 | + | KNApSAcK_ID C00010224 |
| − | NAME 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(3-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one | + | NAME 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(3-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one |
| − | CAS_RN 30563-62-3 | + | CAS_RN 30563-62-3 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c12)(c(C(=O)CC(C)C)c(c(C(c(c4)cccc4)=3)c2OC(=O)C3)O)OC(C(C)(C)O)C1 | + | SMILES c(c12)(c(C(=O)CC(C)C)c(c(C(c(c4)cccc4)=3)c2OC(=O)C3)O)OC(C(C)(C)O)C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.3924 0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7200 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7200 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 -0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 -0.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7438 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7438 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 -2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8497 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8497 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4498 0.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 -1.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5043 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 -0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9771 -0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 -1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0304 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6085 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8697 0.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9295 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6085 2.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5716 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2761 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4498 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9771 -1.0767 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 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
7 17 2 0 0 0 0
10 18 1 0 0 0 0
19 20 1 0 0 0 0
20 9 1 0 0 0 0
19 21 1 0 0 0 0
20 22 2 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 1 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
21 30 1 0 0 0 0
21 31 1 0 0 0 0
S SKP 8
ID FLNAA9NF0001
KNApSAcK_ID C00010224
NAME 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(3-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one
CAS_RN 30563-62-3
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c12)(c(C(=O)CC(C)C)c(c(C(c(c4)cccc4)=3)c2OC(=O)C3)O)OC(C(C)(C)O)C1
M END
