Mol:FL1CA9NF0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.5728 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5728 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5728 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5728 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8584 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8584 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8584 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8584 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1439 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1439 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1442 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1442 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4297 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4297 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7140 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7140 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7140 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7140 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0005 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0005 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7150 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7150 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7150 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7150 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0005 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0005 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4294 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4294 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0005 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0005 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7140 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7140 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0005 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0005 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7140 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7140 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7150 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7150 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4294 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4294 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1439 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1439 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8584 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8584 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5728 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5728 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5728 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5728 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8584 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8584 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1439 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1439 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1442 1.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1442 1.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9304 -1.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9304 -1.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8584 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8584 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5728 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5728 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5728 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5728 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8584 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8584 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4031 1.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4031 1.1635 0.0000 C 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 5 1 0 0 0 0 | + | 3 5 1 0 0 0 0 |
| − | 6 4 1 0 0 0 0 | + | 6 4 1 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 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 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 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 8 1 0 0 0 0 | + | 13 8 1 0 0 0 0 |
| − | 12 14 1 0 0 0 0 | + | 12 14 1 0 0 0 0 |
| − | 10 15 1 0 0 0 0 | + | 10 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 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 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 6 27 1 1 0 0 0 | + | 6 27 1 1 0 0 0 |
| − | 5 28 1 1 0 0 0 | + | 5 28 1 1 0 0 0 |
| − | 4 29 1 1 0 0 0 | + | 4 29 1 1 0 0 0 |
| − | 3 32 1 1 0 0 0 | + | 3 32 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 4 33 1 6 0 0 0 | + | 4 33 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NF0005 | + | ID FL1CA9NF0005 |
| − | KNApSAcK_ID C00014449 | + | KNApSAcK_ID C00014449 |
| − | NAME (-)-Linderol A;Linderol A | + | NAME (-)-Linderol A;Linderol A |
| − | CAS_RN 166983-85-3 | + | CAS_RN 166983-85-3 |
| − | FORMULA C26H30O5 | + | FORMULA C26H30O5 |
| − | EXACTMASS 422.20932407 | + | EXACTMASS 422.20932407 |
| − | AVERAGEMASS 422.5134 | + | AVERAGEMASS 422.5134 |
| − | SMILES c(c4)c(ccc4)C=CC(=O)c(c12)c(cc(OC)c(C(C3CCC)([H])C(C(CC3)(C)O)([H])O2)1)O | + | SMILES c(c4)c(ccc4)C=CC(=O)c(c12)c(cc(OC)c(C(C3CCC)([H])C(C(CC3)(C)O)([H])O2)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-3.5728 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5728 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8584 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8584 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1439 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1442 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4297 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7140 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7140 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0005 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0005 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4294 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0005 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7140 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0005 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7140 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4294 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1439 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8584 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5728 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5728 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8584 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1439 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1442 1.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9304 -1.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8584 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5728 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5728 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8584 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4031 1.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 5 1 0 0 0 0
6 4 1 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
5 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 8 1 0 0 0 0
12 14 1 0 0 0 0
10 15 1 0 0 0 0
15 16 1 0 0 0 0
13 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 21 1 0 0 0 0
6 27 1 1 0 0 0
5 28 1 1 0 0 0
4 29 1 1 0 0 0
3 32 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
4 33 1 6 0 0 0
S SKP 8
ID FL1CA9NF0005
KNApSAcK_ID C00014449
NAME (-)-Linderol A;Linderol A
CAS_RN 166983-85-3
FORMULA C26H30O5
EXACTMASS 422.20932407
AVERAGEMASS 422.5134
SMILES c(c4)c(ccc4)C=CC(=O)c(c12)c(cc(OC)c(C(C3CCC)([H])C(C(CC3)(C)O)([H])O2)1)O
M END
