Mol:FLNAA9NP0008
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -0.3924 0.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3924 0.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7200 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7200 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7200 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7200 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8735 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8735 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8735 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8735 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 1.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 1.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3924 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3924 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 -0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 -0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7438 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7438 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7438 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7438 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2968 -2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2968 -2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8497 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8497 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8497 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8497 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4498 1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4498 1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3924 1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3924 1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 -0.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 -0.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9485 1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9485 1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5043 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5043 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9485 -0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9485 -0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9771 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9771 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9485 -0.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9485 -0.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9485 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9485 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4234 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4234 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9485 2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9485 2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4498 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4498 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5043 0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5043 0.5590 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 9 1 0 0 0 0 | + | 23 9 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 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 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAA9NP0008 | + | ID FLNAA9NP0008 |
| − | KNApSAcK_ID C00010222 | + | KNApSAcK_ID C00010222 |
| − | NAME 5-Hydroxy-6'',6''-dimethyl-6-(2-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin;MAB5 | + | NAME 5-Hydroxy-6'',6''-dimethyl-6-(2-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin;MAB5 |
| − | CAS_RN 30390-18-2 | + | CAS_RN 30390-18-2 |
| − | FORMULA C25H24O5 | + | FORMULA C25H24O5 |
| − | EXACTMASS 404.162373878 | + | EXACTMASS 404.162373878 |
| − | AVERAGEMASS 404.45506 | + | AVERAGEMASS 404.45506 |
| − | SMILES c(C(C(C)CC)=O)(c(O)4)c(c1c(c24)OC(=O)C=C2c(c3)cccc3)OC(C=C1)(C)C | + | SMILES c(C(C(C)CC)=O)(c(O)4)c(c1c(c24)OC(=O)C=C2c(c3)cccc3)OC(C=C1)(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
-0.3924 0.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7200 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7200 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 1.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 -0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7438 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7438 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 -2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8497 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8497 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4498 1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 -0.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5043 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 -0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9771 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 -0.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4234 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4498 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5043 0.5590 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
2 18 1 0 0 0 0
18 19 2 0 0 0 0
10 20 1 0 0 0 0
1 21 1 0 0 0 0
22 23 1 0 0 0 0
23 9 1 0 0 0 0
22 24 1 0 0 0 0
23 25 2 0 0 0 0
19 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
24 29 1 0 0 0 0
22 30 1 0 0 0 0
S SKP 8
ID FLNAA9NP0008
KNApSAcK_ID C00010222
NAME 5-Hydroxy-6'',6''-dimethyl-6-(2-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin;MAB5
CAS_RN 30390-18-2
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES c(C(C(C)CC)=O)(c(O)4)c(c1c(c24)OC(=O)C=C2c(c3)cccc3)OC(C=C1)(C)C
M END
