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 | ||
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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