Mol:FLIA19NM0004
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
− | -1.7074 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7074 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7074 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7074 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1511 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1511 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5948 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5948 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5948 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5948 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1511 0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1511 0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0385 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0385 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5178 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5178 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5178 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5178 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0385 0.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0385 0.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2635 0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2635 0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0739 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0739 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0739 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0739 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6687 -1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 -1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2635 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2635 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2635 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2635 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6687 -0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 -0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0385 -1.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0385 -1.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0739 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0739 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1511 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1511 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7072 1.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7072 1.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5950 1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5950 1.6390 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 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
− | 8 12 1 0 0 0 0 | + | 8 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 |
− | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
− | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
− | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
− | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
− | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIA19NM0004 | + | ID FLIA19NM0004 |
− | KNApSAcK_ID C00009396 | + | KNApSAcK_ID C00009396 |
− | NAME Glyzarin | + | NAME Glyzarin |
− | CAS_RN 62820-28-4 | + | CAS_RN 62820-28-4 |
− | FORMULA C18H14O4 | + | FORMULA C18H14O4 |
− | EXACTMASS 294.089208936 | + | EXACTMASS 294.089208936 |
− | AVERAGEMASS 294.30136 | + | AVERAGEMASS 294.30136 |
− | SMILES O(C=2C)c(c(C(C)=O)1)c(C(C(c(c3)cccc3)2)=O)ccc1O | + | SMILES O(C=2C)c(c(C(C)=O)1)c(C(C(c(c3)cccc3)2)=O)ccc1O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 -1.7074 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7074 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1511 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1511 0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0385 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 0.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0385 0.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2635 0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 -1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2635 -1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2635 -0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 -0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0385 -1.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1511 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7072 1.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 1.6390 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 8 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 7 18 2 0 0 0 0 9 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 S SKP 8 ID FLIA19NM0004 KNApSAcK_ID C00009396 NAME Glyzarin CAS_RN 62820-28-4 FORMULA C18H14O4 EXACTMASS 294.089208936 AVERAGEMASS 294.30136 SMILES O(C=2C)c(c(C(C)=O)1)c(C(C(c(c3)cccc3)2)=O)ccc1O M END