Mol:FL1AACNI0001
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 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4692 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4692 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4692 -0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4692 -0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9884 -0.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9884 -0.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5077 -0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5077 -0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5077 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5077 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9884 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9884 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1010 -1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1010 -1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4534 -0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4534 -0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1010 -0.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1010 -0.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0268 -0.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0268 -0.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8951 -0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8951 -0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7790 -0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7790 -0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0793 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0793 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6798 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6798 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9801 -0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9801 -0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6798 -0.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6798 -0.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0793 -0.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0793 -0.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5796 -0.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5796 -0.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2453 -1.7226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2453 -1.7226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9796 0.3404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9796 0.3404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9884 -1.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9884 -1.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0268 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0268 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5448 -0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5448 -0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0628 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0628 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5796 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5796 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0628 -1.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0628 -1.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7795 0.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7795 0.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0793 0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0793 0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7795 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7795 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0793 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0793 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1800 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1800 1.3788 0.0000 C 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 17 27 1 0 0 0 0 | + | 17 27 1 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 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1AACNI0001 | + | ID FL1AACNI0001 |
| − | KNApSAcK_ID C00008033 | + | KNApSAcK_ID C00008033 |
| − | NAME Antiarone A | + | NAME Antiarone A |
| − | CAS_RN 128883-66-9 | + | CAS_RN 128883-66-9 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c31)c(O)c(CC=C(C)C)c(O)c(c(c(o3)=Cc(c2)c(CC=C(C)C)c(c(O)c2)O)=O)1 | + | SMILES c(c31)c(O)c(CC=C(C)C)c(O)c(c(c(o3)=Cc(c2)c(CC=C(C)C)c(c(O)c2)O)=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-0.4692 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4692 -0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9884 -0.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5077 -0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5077 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9884 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1010 -1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4534 -0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1010 -0.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0268 -0.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8951 -0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7790 -0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0793 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6798 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9801 -0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6798 -0.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0793 -0.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5796 -0.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2453 -1.7226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9796 0.3404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9884 -1.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0268 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5448 -0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0628 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5796 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0628 -1.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7795 0.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0793 0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7795 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0793 1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1800 1.3788 0.0000 C 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 11 2 0 0 0 0
11 12 1 0 0 0 0
12 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 12 1 0 0 0 0
15 18 1 0 0 0 0
7 19 2 0 0 0 0
16 20 1 0 0 0 0
6 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
17 27 1 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
29 31 1 0 0 0 0
S SKP 8
ID FL1AACNI0001
KNApSAcK_ID C00008033
NAME Antiarone A
CAS_RN 128883-66-9
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c31)c(O)c(CC=C(C)C)c(O)c(c(c(o3)=Cc(c2)c(CC=C(C)C)c(c(O)c2)O)=O)1
M END
