Mol:FLIFWXNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 33 0 0 0 0 0 0 0 0999 V2000 | + | 28 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6543 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6543 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6543 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6543 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0980 -0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0980 -0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5417 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5417 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5417 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5417 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0980 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0980 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0146 -0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0146 -0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5710 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5710 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5710 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5710 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0146 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0146 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1270 -0.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1270 -0.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1270 -1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1270 -1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7218 -1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7218 -1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3166 -1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3166 -1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3166 -0.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3166 -0.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7218 0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7218 0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0146 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0146 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7489 0.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7489 0.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1273 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1273 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8646 -2.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8646 -2.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5477 -2.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5477 -2.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8270 -1.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8270 -1.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0980 1.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0980 1.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6543 1.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6543 1.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2106 1.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2106 1.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2106 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2106 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6887 2.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6887 2.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8270 1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8270 1.4461 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 9 1 0 0 0 0 | + | 19 9 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 14 1 0 0 0 0 | + | 22 14 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 1 1 0 0 0 0 | + | 26 1 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFWXNP0001 | + | ID FLIFWXNP0001 |
| − | KNApSAcK_ID C00009600 | + | KNApSAcK_ID C00009600 |
| − | NAME Dehydromillettone;6a,12a-Didehydromillettone | + | NAME Dehydromillettone;6a,12a-Didehydromillettone |
| − | CAS_RN 43016-04-2 | + | CAS_RN 43016-04-2 |
| − | FORMULA C22H16O6 | + | FORMULA C22H16O6 |
| − | EXACTMASS 376.094688244 | + | EXACTMASS 376.094688244 |
| − | AVERAGEMASS 376.35884000000004 | + | AVERAGEMASS 376.35884000000004 |
| − | SMILES c(c62)(C(=C3CO6)C(c(c5)c(c(C=4)c(c5)OC(C4)(C)C)O3)=O)cc(c(c2)1)OCO1 | + | SMILES c(c62)(C(=C3CO6)C(c(c5)c(c(C=4)c(c5)OC(C4)(C)C)O3)=O)cc(c(c2)1)OCO1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 33 0 0 0 0 0 0 0 0999 V2000
-1.6543 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6543 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0980 -0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5417 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5417 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0980 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0146 -0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5710 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5710 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0146 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1270 -0.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1270 -1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7218 -1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3166 -1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3166 -0.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7218 0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0146 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7489 0.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1273 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8646 -2.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5477 -2.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8270 -1.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0980 1.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6543 1.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2106 1.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2106 0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6887 2.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8270 1.4461 0.0000 C 0 0 0 0 0 0 0 0 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 9 1 0 0 0 0
1 2 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 14 1 0 0 0 0
6 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 1 1 0 0 0 0
25 27 1 0 0 0 0
25 28 1 0 0 0 0
S SKP 8
ID FLIFWXNP0001
KNApSAcK_ID C00009600
NAME Dehydromillettone;6a,12a-Didehydromillettone
CAS_RN 43016-04-2
FORMULA C22H16O6
EXACTMASS 376.094688244
AVERAGEMASS 376.35884000000004
SMILES c(c62)(C(=C3CO6)C(c(c5)c(c(C=4)c(c5)OC(C4)(C)C)O3)=O)cc(c(c2)1)OCO1
M END
