Mol:FL2FALNP0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1855 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1855 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3354 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3354 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8563 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8563 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8563 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8563 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3354 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3354 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1855 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1855 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3772 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3772 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8981 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8981 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8981 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8981 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3772 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3772 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4184 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4184 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3772 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3772 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9528 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9528 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4872 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4872 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4872 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4872 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9528 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9528 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4184 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4184 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0116 1.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0116 1.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7064 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7064 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2272 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2272 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2272 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2272 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7064 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7064 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7587 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7587 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7848 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7848 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3421 0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3421 0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8994 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8994 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4555 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4555 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0116 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0116 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4555 0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4555 0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3354 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3354 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8850 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8850 1.3640 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 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 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 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 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 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 2 30 1 0 0 0 0 | + | 2 30 1 0 0 0 0 |
| − | 17 31 1 0 0 0 0 | + | 17 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNP0012 | + | ID FL2FALNP0012 |
| − | KNApSAcK_ID C00008428 | + | KNApSAcK_ID C00008428 |
| − | NAME Kuwanol C | + | NAME Kuwanol C |
| − | CAS_RN 123702-94-3 | + | CAS_RN 123702-94-3 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES C(c13)(=O)CC(c(c4)c(O)cc(O)c4)Oc1cc(O2)c(c(O)3)C=CC(C)2CCC=C(C)C | + | SMILES C(c13)(=O)CC(c(c4)c(O)cc(O)c4)Oc1cc(O2)c(c(O)3)C=CC(C)2CCC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.1855 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3354 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8563 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8563 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3354 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1855 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3772 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8981 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8981 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3772 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4184 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3772 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9528 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4872 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4872 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9528 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4184 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0116 1.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7064 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2272 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2272 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7064 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7587 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7848 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3421 0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8994 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4555 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0116 -0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4555 0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3354 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8850 1.3640 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
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 1 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
2 30 1 0 0 0 0
17 31 1 0 0 0 0
S SKP 8
ID FL2FALNP0012
KNApSAcK_ID C00008428
NAME Kuwanol C
CAS_RN 123702-94-3
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(c13)(=O)CC(c(c4)c(O)cc(O)c4)Oc1cc(O2)c(c(O)3)C=CC(C)2CCC=C(C)C
M END
