Mol:FL1CRTNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7343 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7343 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7343 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7343 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2906 -0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2906 -0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8469 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8469 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8469 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8469 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2906 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2906 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4773 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4773 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0336 -0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0336 -0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0788 -0.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0788 -0.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6397 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6397 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0788 -0.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0788 -0.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6397 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6397 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1924 0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1924 0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7450 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7450 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7450 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7450 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1924 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1924 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4030 0.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4030 0.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2977 0.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2977 0.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8503 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8503 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8503 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8503 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2977 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2977 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 0.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 0.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4030 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4030 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2906 -0.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2906 -0.9894 0.0000 O 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 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 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 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CRTNP0002 | + | ID FL1CRTNP0002 |
| − | KNApSAcK_ID C00007058 | + | KNApSAcK_ID C00007058 |
| − | NAME Munsericin | + | NAME Munsericin |
| − | CAS_RN 158991-21-0 | + | CAS_RN 158991-21-0 |
| − | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
| − | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
| − | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
| − | SMILES c(c1)c(C(=O)C=Cc(c(O)3)ccc(O)c3)cc(C=2)c1OC(C2)(C)C | + | SMILES c(c1)c(C(=O)C=Cc(c(O)3)ccc(O)c3)cc(C=2)c1OC(C2)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
1.7343 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7343 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2906 -0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8469 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8469 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2906 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4773 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0336 -0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0788 -0.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6397 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0788 -0.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6397 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1924 0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1924 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2977 0.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8503 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8503 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2977 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4030 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2906 -0.9894 0.0000 O 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
5 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 15 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
3 24 1 0 0 0 0
S SKP 8
ID FL1CRTNP0002
KNApSAcK_ID C00007058
NAME Munsericin
CAS_RN 158991-21-0
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES c(c1)c(C(=O)C=Cc(c(O)3)ccc(O)c3)cc(C=2)c1OC(C2)(C)C
M END
