Mol:FL1C1ANI0007
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 |
| − | 2.2823 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2823 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2823 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2823 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8386 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8386 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3949 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3949 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3949 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3949 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8386 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8386 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0254 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0254 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5817 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5817 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4693 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4693 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0917 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0917 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4693 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4693 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0917 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0917 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6443 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6443 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1970 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1970 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1970 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1970 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6443 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6443 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9512 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9512 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6443 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6443 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7495 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7495 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3008 0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3008 0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8510 0.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8510 0.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4011 0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4011 0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9512 0.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9512 0.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4011 0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4011 0.0122 0.0000 C 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 5 1 0 0 0 0 | + | 17 5 1 0 0 0 0 |
| − | 18 16 1 0 0 0 0 | + | 18 16 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 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 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0007 | + | ID FL1C1ANI0007 |
| − | KNApSAcK_ID C00007067 | + | KNApSAcK_ID C00007067 |
| − | NAME 4-Hydroxycordoin | + | NAME 4-Hydroxycordoin |
| − | CAS_RN 55524-25-9 | + | CAS_RN 55524-25-9 |
| − | FORMULA C20H20O4 | + | FORMULA C20H20O4 |
| − | EXACTMASS 324.136159128 | + | EXACTMASS 324.136159128 |
| − | AVERAGEMASS 324.37039999999996 | + | AVERAGEMASS 324.37039999999996 |
| − | SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1)c(cc(OCC=C(C)C)c1)O | + | SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1)c(cc(OCC=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/
24 25 0 0 0 0 0 0 0 0999 V2000
2.2823 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2823 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8386 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3949 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3949 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8386 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0254 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5817 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4693 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0917 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4693 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0917 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6443 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1970 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1970 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6443 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9512 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6443 -0.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7495 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3008 0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8510 0.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4011 0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9512 0.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4011 0.0122 0.0000 C 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 5 1 0 0 0 0
18 16 1 0 0 0 0
14 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 23 1 0 0 0 0
22 24 1 0 0 0 0
S SKP 8
ID FL1C1ANI0007
KNApSAcK_ID C00007067
NAME 4-Hydroxycordoin
CAS_RN 55524-25-9
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1)c(cc(OCC=C(C)C)c1)O
M END
