Mol:FL1C1LNI0002
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 31 0 0 0 0 0 0 0 0999 V2000 | + | 30 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8231 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8231 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8231 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8231 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2668 -0.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2668 -0.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2895 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2895 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2895 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2895 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2668 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2668 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9564 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9564 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4001 -0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4001 -0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5125 -0.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5125 -0.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0734 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0734 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5125 -0.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5125 -0.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0734 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0734 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6260 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6260 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1787 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1787 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1787 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1787 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6260 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6260 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6260 -0.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6260 -0.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7312 0.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7312 0.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6260 -0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6260 -0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1787 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1787 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0735 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0735 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5222 -0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5222 -0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9720 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9720 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4231 -0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4231 -0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8741 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8741 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9720 -0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9720 -0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1787 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1787 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7312 -0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7312 -0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3792 0.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3792 0.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8456 0.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8456 0.9611 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 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 |
| − | 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 |
| − | 4 25 1 0 0 0 0 | + | 4 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 5 30 1 0 0 0 0 | + | 5 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1LNI0002 | + | ID FL1C1LNI0002 |
| − | KNApSAcK_ID C00007137 | + | KNApSAcK_ID C00007137 |
| − | NAME Kuwanol D | + | NAME Kuwanol D |
| − | CAS_RN 123702-93-2 | + | CAS_RN 123702-93-2 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES c(c1)(ccc(C(=O)C=Cc(c2)c(cc(c2CC=C(C)CCC=C(C)C)O)O)c1O)O | + | SMILES c(c1)(ccc(C(=O)C=Cc(c2)c(cc(c2CC=C(C)CCC=C(C)C)O)O)c1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 31 0 0 0 0 0 0 0 0999 V2000
-0.8231 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8231 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2668 -0.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2895 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2895 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2668 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9564 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4001 -0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5125 -0.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0734 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5125 -0.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0734 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6260 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1787 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1787 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6260 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6260 -0.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7312 0.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6260 -0.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1787 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0735 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5222 -0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9720 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4231 -0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8741 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9720 -0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1787 -0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7312 -0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3792 0.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8456 0.9611 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
16 17 1 0 0 0 0
14 18 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 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
4 25 1 0 0 0 0
23 26 1 0 0 0 0
20 27 1 0 0 0 0
20 28 1 0 0 0 0
1 29 1 0 0 0 0
5 30 1 0 0 0 0
S SKP 8
ID FL1C1LNI0002
KNApSAcK_ID C00007137
NAME Kuwanol D
CAS_RN 123702-93-2
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES c(c1)(ccc(C(=O)C=Cc(c2)c(cc(c2CC=C(C)CCC=C(C)C)O)O)c1O)O
M END
