Mol:FLNAA9NP0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6287 0.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6287 0.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0724 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0724 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4837 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4837 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4837 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4837 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0604 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0604 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6371 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6371 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6371 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6371 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0604 1.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0604 1.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6287 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6287 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0724 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0724 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0604 -0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0604 -0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5075 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5075 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5075 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5075 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0604 -2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0604 -2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6133 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6133 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6133 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6133 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2135 1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2135 1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0724 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0724 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6287 1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6287 1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0724 -0.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0724 -0.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1848 1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1848 1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7407 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7407 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1848 -0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1848 -0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2135 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2135 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1848 -0.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1848 -0.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1848 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1848 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6598 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6598 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1848 2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1848 2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7408 0.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7408 0.6780 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 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAA9NP0009 | + | ID FLNAA9NP0009 |
| − | KNApSAcK_ID C00010223 | + | KNApSAcK_ID C00010223 |
| − | NAME Mesuagin;5-Hydroxy-6'',6''-dimethyl-6-isobutyryl-4-phenylpyrano[2'',3'':7,8]coumarin | + | NAME Mesuagin;5-Hydroxy-6'',6''-dimethyl-6-isobutyryl-4-phenylpyrano[2'',3'':7,8]coumarin |
| − | CAS_RN 21721-08-4 | + | CAS_RN 21721-08-4 |
| − | FORMULA C24H22O5 | + | FORMULA C24H22O5 |
| − | EXACTMASS 390.146723814 | + | EXACTMASS 390.146723814 |
| − | AVERAGEMASS 390.42848000000004 | + | AVERAGEMASS 390.42848000000004 |
| − | SMILES c(c4)c(ccc4)C(c12)=CC(=O)Oc(c(C=3)c(OC(C3)(C)C)c(C(=O)C(C)C)c(O)2)1 | + | SMILES c(c4)c(ccc4)C(c12)=CC(=O)Oc(c(C=3)c(OC(C3)(C)C)c(C(=O)C(C)C)c(O)2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-0.6287 0.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0724 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4837 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4837 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0604 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0604 1.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6287 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0724 -0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0604 -0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5075 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5075 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0604 -2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6133 -1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6133 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2135 1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0724 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6287 1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0724 -0.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1848 1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7407 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1848 -0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2135 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1848 -0.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1848 1.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6598 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1848 2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7408 0.6780 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
22 29 1 0 0 0 0
S SKP 8
ID FLNAA9NP0009
KNApSAcK_ID C00010223
NAME Mesuagin;5-Hydroxy-6'',6''-dimethyl-6-isobutyryl-4-phenylpyrano[2'',3'':7,8]coumarin
CAS_RN 21721-08-4
FORMULA C24H22O5
EXACTMASS 390.146723814
AVERAGEMASS 390.42848000000004
SMILES c(c4)c(ccc4)C(c12)=CC(=O)Oc(c(C=3)c(OC(C3)(C)C)c(C(=O)C(C)C)c(O)2)1
M END
