Mol:FL1CACNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 43 0 0 0 0 0 0 0 0999 V2000 | + | 40 43 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.5722 0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5722 0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5722 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5722 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1285 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1285 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6848 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6848 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6848 0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6848 0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1285 0.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1285 0.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4390 0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4390 0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9953 -0.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9953 -0.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8829 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8829 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3220 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3220 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8829 -0.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8829 -0.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3220 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3220 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2307 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2307 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7833 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7833 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7833 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7833 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2307 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2307 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2307 -0.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2307 -0.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3358 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3358 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3358 0.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3358 0.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8746 0.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8746 0.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8746 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8746 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3220 1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3220 1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2307 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2307 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0486 2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0486 2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2732 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2732 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9533 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9533 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5256 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5256 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0978 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0978 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0978 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0978 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5256 -1.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5256 -1.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9533 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9533 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5256 0.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5256 0.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6694 -0.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6694 -0.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2409 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2409 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6694 0.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6694 0.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6694 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6694 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5256 -2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5256 -2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3818 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3818 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2409 0.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2409 0.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2409 -0.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2409 -0.3133 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 13 1 0 0 0 0 | + | 23 13 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 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 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 28 33 1 0 0 0 0 | + | 28 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 2 0 0 0 0 | + | 33 35 2 0 0 0 0 |
| − | 29 36 1 0 0 0 0 | + | 29 36 1 0 0 0 0 |
| − | 30 37 1 0 0 0 0 | + | 30 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 5 39 1 0 0 0 0 | + | 5 39 1 0 0 0 0 |
| − | 4 40 1 0 0 0 0 | + | 4 40 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CACNP0001 | + | ID FL1CACNP0001 |
| − | KNApSAcK_ID C00007160 | + | KNApSAcK_ID C00007160 |
| − | NAME 3,4-Dihydroxyrottlerin | + | NAME 3,4-Dihydroxyrottlerin |
| − | CAS_RN 24650-82-6 | + | CAS_RN 24650-82-6 |
| − | FORMULA C30H28O10 | + | FORMULA C30H28O10 |
| − | EXACTMASS 548.168247116 | + | EXACTMASS 548.168247116 |
| − | AVERAGEMASS 548.53732 | + | AVERAGEMASS 548.53732 |
| − | SMILES C(c(c4)ccc(c4O)O)=CC(c(c2O)c(c1c(O)c2Cc(c3O)c(O)c(c(c(C(C)=O)3)O)C)OC(C)(C)C=C1)=O | + | SMILES C(c(c4)ccc(c4O)O)=CC(c(c2O)c(c1c(O)c2Cc(c3O)c(O)c(c(c(C(C)=O)3)O)C)OC(C)(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/
40 43 0 0 0 0 0 0 0 0999 V2000
2.5722 0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5722 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1285 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6848 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6848 0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1285 0.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4390 0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9953 -0.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8829 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3220 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8829 -0.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3220 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2307 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7833 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7833 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2307 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2307 -0.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3358 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3358 0.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8746 0.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8746 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3220 1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2307 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0486 2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2732 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9533 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5256 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0978 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0978 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5256 -1.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9533 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5256 0.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6694 -0.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2409 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6694 0.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6694 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5256 -2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3818 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2409 0.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2409 -0.3133 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
15 18 1 0 0 0 0
14 19 1 0 0 0 0
12 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 13 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
18 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
27 32 1 0 0 0 0
28 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 2 0 0 0 0
29 36 1 0 0 0 0
30 37 1 0 0 0 0
31 38 1 0 0 0 0
5 39 1 0 0 0 0
4 40 1 0 0 0 0
S SKP 8
ID FL1CACNP0001
KNApSAcK_ID C00007160
NAME 3,4-Dihydroxyrottlerin
CAS_RN 24650-82-6
FORMULA C30H28O10
EXACTMASS 548.168247116
AVERAGEMASS 548.53732
SMILES C(c(c4)ccc(c4O)O)=CC(c(c2O)c(c1c(O)c2Cc(c3O)c(O)c(c(c(C(C)=O)3)O)C)OC(C)(C)C=C1)=O
M END
