Mol:FL2F1LNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5299 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5299 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0090 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0090 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4881 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4881 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4881 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4881 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0090 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0090 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5299 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5299 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0328 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0328 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5537 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5537 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5537 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5537 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0328 -1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0328 -1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0741 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0741 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0328 -2.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0328 -2.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6084 -1.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6084 -1.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1428 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1428 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1428 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1428 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6084 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6084 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0741 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0741 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6013 -0.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6013 -0.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0090 0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0090 0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0507 -1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0507 -1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5530 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5530 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0610 0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0610 0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5530 1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5530 1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0774 1.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0774 1.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0774 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0774 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5534 2.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5534 2.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6013 2.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6013 2.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0610 0.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0610 0.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5683 0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5683 0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5406 -0.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5406 -0.1057 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 20 6 1 0 0 0 0 | + | 20 6 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 22 29 2 0 0 0 0 | + | 22 29 2 0 0 0 0 |
| − | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1LNI0001 | + | ID FL2F1LNI0001 |
| − | KNApSAcK_ID C00008400 | + | KNApSAcK_ID C00008400 |
| − | NAME Lehmannin | + | NAME Lehmannin |
| − | CAS_RN 112613-52-2 | + | CAS_RN 112613-52-2 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES c(c3)(O)c(CC(C(C)=C)CC=C(C)C)c(c1c3)OC(c(c2)c(O)cc(O)c2)CC1=O | + | SMILES c(c3)(O)c(CC(C(C)=C)CC=C(C)C)c(c1c3)OC(c(c2)c(O)cc(O)c2)CC1=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/
30 32 0 0 0 0 0 0 0 0999 V2000
-1.5299 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0090 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4881 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4881 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0090 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5299 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0328 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5537 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5537 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0328 -1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0741 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0328 -2.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6084 -1.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1428 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1428 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6084 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0741 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6013 -0.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0090 0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0507 -1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5530 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0610 0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5530 1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0774 1.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0774 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5534 2.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6013 2.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0610 0.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5683 0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5406 -0.1057 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
15 18 1 0 0 0 0
5 19 1 0 0 0 0
20 6 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
22 28 1 0 0 0 0
22 29 2 0 0 0 0
17 30 1 0 0 0 0
S SKP 8
ID FL2F1LNI0001
KNApSAcK_ID C00008400
NAME Lehmannin
CAS_RN 112613-52-2
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES c(c3)(O)c(CC(C(C)=C)CC=C(C)C)c(c1c3)OC(c(c2)c(O)cc(O)c2)CC1=O
M END
