Mol:FL4DA9NS0008
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
− | -1.8141 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8141 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2932 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2932 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7723 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7723 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7723 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7723 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2932 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2932 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8141 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8141 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2515 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2515 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2694 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2694 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2694 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2694 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2515 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2515 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2515 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2515 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2932 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2932 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3208 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3208 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7125 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7125 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8491 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8491 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3779 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3779 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9066 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9066 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9066 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9066 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3779 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3779 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8491 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8491 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1662 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1662 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1662 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1662 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7112 -0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7112 -0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3208 -1.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3208 -1.1361 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 |
− | 3 7 1 0 0 0 0 | + | 3 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 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
− | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
− | 8 14 1 1 0 0 0 | + | 8 14 1 1 0 0 0 |
− | 9 15 1 6 0 0 0 | + | 9 15 1 6 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
− | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
− | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
− | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL4DA9NS0008 | + | ID FL4DA9NS0008 |
− | KNApSAcK_ID C00008733 | + | KNApSAcK_ID C00008733 |
− | NAME Pinobanksin 3-propionate | + | NAME Pinobanksin 3-propionate |
− | CAS_RN 126394-70-5 | + | CAS_RN 126394-70-5 |
− | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
− | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
− | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
− | SMILES c(c12)(O)cc(O)cc(OC(c(c3)cccc3)C(C2=O)OC(=O)CC)1 | + | SMILES c(c12)(O)cc(O)cc(OC(c(c3)cccc3)C(C2=O)OC(=O)CC)1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.8141 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2932 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7723 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7723 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2932 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8141 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2515 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2694 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2694 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2515 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2515 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2932 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8491 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3779 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9066 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9066 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3779 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8491 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1662 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1662 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7112 -0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3208 -1.1361 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 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 6 13 1 0 0 0 0 8 14 1 1 0 0 0 9 15 1 6 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 14 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 S SKP 8 ID FL4DA9NS0008 KNApSAcK_ID C00008733 NAME Pinobanksin 3-propionate CAS_RN 126394-70-5 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES c(c12)(O)cc(O)cc(OC(c(c3)cccc3)C(C2=O)OC(=O)CC)1 M END