Mol:FL6FUNNI0001
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 |
| − | 0.3739 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3739 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0463 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0463 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7187 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7187 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7187 0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7187 0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0463 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0463 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3739 0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3739 0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4332 1.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4332 1.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8382 -1.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8382 -1.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9967 -1.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9967 -1.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4016 -1.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4016 -1.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4016 -0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4016 -0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9967 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9967 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8382 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8382 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4332 -0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4332 -0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4332 -1.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4332 -1.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4657 0.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4657 0.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4657 1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4657 1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1780 1.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1780 1.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1780 2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1780 2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7829 1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7829 1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3410 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3410 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1667 -2.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1667 -2.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9967 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9967 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6038 -0.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6038 -0.7263 0.0000 O 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 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 8 1 0 0 0 0 | + | 15 8 1 0 0 0 0 |
| − | 11 1 1 6 0 0 0 | + | 11 1 1 6 0 0 0 |
| − | 12 16 1 0 0 0 0 | + | 12 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 13 21 2 0 0 0 0 | + | 13 21 2 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 8 23 1 1 0 0 0 | + | 8 23 1 1 0 0 0 |
| − | 12 23 1 1 0 0 0 | + | 12 23 1 1 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6FUNNI0001 | + | ID FL6FUNNI0001 |
| − | KNApSAcK_ID C00013248 | + | KNApSAcK_ID C00013248 |
| − | NAME (+)-Acutifolin A;Acutifolin A;(1R,5R,8R)-rel-(+)-5-Hydroxy-8-(4-hydroxyphenyl)-1-(3-methyl-2-butenyl)bicyclo[3.3.1]non-3-ene-2,9-dione | + | NAME (+)-Acutifolin A;Acutifolin A;(1R,5R,8R)-rel-(+)-5-Hydroxy-8-(4-hydroxyphenyl)-1-(3-methyl-2-butenyl)bicyclo[3.3.1]non-3-ene-2,9-dione |
| − | CAS_RN 350221-53-3 | + | CAS_RN 350221-53-3 |
| − | FORMULA C20H22O4 | + | FORMULA C20H22O4 |
| − | EXACTMASS 326.151809192 | + | EXACTMASS 326.151809192 |
| − | AVERAGEMASS 326.38628 | + | AVERAGEMASS 326.38628 |
| − | SMILES O=C(C12O)C(CC=C(C)C)(C(c(c3)ccc(O)c3)CC2)C(C=C1)=O | + | SMILES O=C(C12O)C(CC=C(C)C)(C(c(c3)ccc(O)c3)CC2)C(C=C1)=O |
M END | M END | ||
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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
0.3739 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0463 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7187 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7187 0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0463 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3739 0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4332 1.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8382 -1.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9967 -1.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4016 -1.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4016 -0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9967 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8382 0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4332 -0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4332 -1.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4657 0.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4657 1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1780 1.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1780 2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7829 1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3410 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1667 -2.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9967 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6038 -0.7263 0.0000 O 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 1 1 0 0 0 0
4 7 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 8 1 0 0 0 0
11 1 1 6 0 0 0
12 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
13 21 2 0 0 0 0
8 22 1 0 0 0 0
8 23 1 1 0 0 0
12 23 1 1 0 0 0
23 24 2 0 0 0 0
S SKP 8
ID FL6FUNNI0001
KNApSAcK_ID C00013248
NAME (+)-Acutifolin A;Acutifolin A;(1R,5R,8R)-rel-(+)-5-Hydroxy-8-(4-hydroxyphenyl)-1-(3-methyl-2-butenyl)bicyclo[3.3.1]non-3-ene-2,9-dione
CAS_RN 350221-53-3
FORMULA C20H22O4
EXACTMASS 326.151809192
AVERAGEMASS 326.38628
SMILES O=C(C12O)C(CC=C(C)C)(C(c(c3)ccc(O)c3)CC2)C(C=C1)=O
M END
