Mol:FL1D1ANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 30 0 0 0 0 0 0 0 0999 V2000 | + | 29 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2984 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2984 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2984 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2984 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8336 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8336 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3689 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3689 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3689 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3689 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8336 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8336 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8336 -1.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8336 -1.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0955 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0955 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5588 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5588 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0220 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0220 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4852 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4852 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9484 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9484 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4116 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4116 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4116 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4116 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9484 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9484 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4852 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4852 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0955 -1.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0955 -1.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6806 -0.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6806 -0.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7329 -0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7329 -0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1139 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1139 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4950 -0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4950 -0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8748 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8748 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4950 -1.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4950 -1.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8336 0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8336 0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2980 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2980 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2980 1.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2980 1.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7624 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7624 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8336 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8336 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8748 -0.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8748 -0.0029 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 |
| − | 4 8 1 0 0 0 0 | + | 4 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 8 17 2 0 0 0 0 | + | 8 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1D1ANI0001 | + | ID FL1D1ANI0001 |
| − | KNApSAcK_ID C00008002 | + | KNApSAcK_ID C00008002 |
| − | NAME Gancaonin J | + | NAME Gancaonin J |
| − | CAS_RN 129280-37-1 | + | CAS_RN 129280-37-1 |
| − | FORMULA C25H30O4 | + | FORMULA C25H30O4 |
| − | EXACTMASS 394.21440944799997 | + | EXACTMASS 394.21440944799997 |
| − | AVERAGEMASS 394.50329999999997 | + | AVERAGEMASS 394.50329999999997 |
| − | SMILES C(C)(C)=CCc(c1O)c(c(CC=C(C)C)cc1C(CCc(c2)ccc(O)c2)=O)O | + | SMILES C(C)(C)=CCc(c1O)c(c(CC=C(C)C)cc1C(CCc(c2)ccc(O)c2)=O)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/
29 30 0 0 0 0 0 0 0 0999 V2000
-1.2984 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2984 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8336 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3689 -0.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3689 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8336 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8336 -1.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0955 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5588 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0220 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4852 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9484 -1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4116 -0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4116 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9484 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4852 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0955 -1.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6806 -0.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7329 -0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1139 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4950 -0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8748 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4950 -1.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8336 0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2980 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2980 1.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7624 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8336 1.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8748 -0.0029 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
4 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 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 11 1 0 0 0 0
8 17 2 0 0 0 0
1 18 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
2 19 1 0 0 0 0
6 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
14 29 1 0 0 0 0
S SKP 8
ID FL1D1ANI0001
KNApSAcK_ID C00008002
NAME Gancaonin J
CAS_RN 129280-37-1
FORMULA C25H30O4
EXACTMASS 394.21440944799997
AVERAGEMASS 394.50329999999997
SMILES C(C)(C)=CCc(c1O)c(c(CC=C(C)C)cc1C(CCc(c2)ccc(O)c2)=O)O
M END
