Mol:FL1CA9NI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 25 0 0 0 0 0 0 0 0999 V2000 | + | 24 25 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.2885 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2885 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2885 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2885 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8448 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8448 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4011 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4011 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4011 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4011 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8448 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8448 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0315 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0315 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5878 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5878 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4754 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4754 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0855 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0855 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4754 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4754 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0855 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0855 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6381 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6381 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1908 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1908 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1908 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1908 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6381 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6381 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6381 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6381 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2961 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2961 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7434 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7434 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8486 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8486 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4011 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4011 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8486 -0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8486 -0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7433 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7433 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4670 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4670 0.9657 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 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 18 20 2 0 0 0 0 | + | 18 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NI0001 | + | ID FL1CA9NI0001 |
| − | KNApSAcK_ID C00007078 | + | KNApSAcK_ID C00007078 |
| − | NAME Desmethylisoxanthohumol | + | NAME Desmethylisoxanthohumol |
| − | CAS_RN 72247-78-0 | + | CAS_RN 72247-78-0 |
| − | FORMULA C20H20O4 | + | FORMULA C20H20O4 |
| − | EXACTMASS 324.136159128 | + | EXACTMASS 324.136159128 |
| − | AVERAGEMASS 324.37039999999996 | + | AVERAGEMASS 324.37039999999996 |
| − | SMILES C(c(c1O)c(cc(c1C(=O)C=Cc(c2)cccc2)O)O)C=C(C)C | + | SMILES C(c(c1O)c(cc(c1C(=O)C=Cc(c2)cccc2)O)O)C=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 25 0 0 0 0 0 0 0 0999 V2000
2.2885 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2885 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8448 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4011 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4011 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8448 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0315 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4754 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0855 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4754 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0855 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6381 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1908 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1908 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6381 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6381 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2961 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7434 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8486 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4011 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8486 -0.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7433 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4670 0.9657 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
17 16 1 0 0 0 0
18 19 1 0 0 0 0
19 15 1 0 0 0 0
18 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
14 23 1 0 0 0 0
12 24 1 0 0 0 0
S SKP 8
ID FL1CA9NI0001
KNApSAcK_ID C00007078
NAME Desmethylisoxanthohumol
CAS_RN 72247-78-0
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES C(c(c1O)c(cc(c1C(=O)C=Cc(c2)cccc2)O)O)C=C(C)C
M END
