Mol:FLNAA9NF0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6287 0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6287 0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0724 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0724 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4837 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4837 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4837 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4837 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0604 -0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0604 -0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6371 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6371 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6371 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6371 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0604 0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0604 0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6287 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6287 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0724 -0.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0724 -0.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0604 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0604 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5075 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5075 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5075 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5075 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0604 -2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0604 -2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6133 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6133 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6133 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6133 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2135 0.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2135 0.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0724 -1.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0724 -1.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7407 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7407 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1848 -0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1848 -0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2135 -0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2135 -0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1848 -1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1848 -1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2060 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2060 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8448 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8448 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1061 0.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1061 0.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1659 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1659 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8448 2.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8448 2.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8080 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8080 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5125 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5125 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7408 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7408 0.3828 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 |
| − | 19 30 1 0 0 0 0 | + | 19 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAA9NF0003 | + | ID FLNAA9NF0003 |
| − | KNApSAcK_ID C00010226 | + | KNApSAcK_ID C00010226 |
| − | NAME 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one | + | NAME 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one |
| − | CAS_RN 54947-83-0 | + | CAS_RN 54947-83-0 |
| − | FORMULA C24H24O6 | + | FORMULA C24H24O6 |
| − | EXACTMASS 408.1572885 | + | EXACTMASS 408.1572885 |
| − | AVERAGEMASS 408.44376 | + | AVERAGEMASS 408.44376 |
| − | SMILES C(C(c(c(O)4)c(c(c(c42)OC(=O)C=C2c(c3)cccc3)1)OC(C(C)(C)O)C1)=O)(C)C | + | SMILES C(C(c(c(O)4)c(c(c(c42)OC(=O)C=C2c(c3)cccc3)1)OC(C(C)(C)O)C1)=O)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.6287 0.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0724 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4837 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4837 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0604 -0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 -0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0604 0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6287 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0724 -0.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0604 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5075 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5075 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0604 -2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6133 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6133 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2135 0.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0724 -1.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7407 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1848 -0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2135 -0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1848 -1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2060 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8448 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1061 0.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1659 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8448 2.5129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8080 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5125 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7408 0.3828 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
19 30 1 0 0 0 0
S SKP 8
ID FLNAA9NF0003
KNApSAcK_ID C00010226
NAME 1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one
CAS_RN 54947-83-0
FORMULA C24H24O6
EXACTMASS 408.1572885
AVERAGEMASS 408.44376
SMILES C(C(c(c(O)4)c(c(c(c42)OC(=O)C=C2c(c3)cccc3)1)OC(C(C)(C)O)C1)=O)(C)C
M END
