Mol:FL4DA9NS0007
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
− | -1.6070 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6070 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0861 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0861 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5652 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5652 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5652 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5652 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0861 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0861 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6070 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6070 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0443 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0443 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4766 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4766 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4766 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4766 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0443 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0443 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0443 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0443 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0861 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0861 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1137 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1137 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9196 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9196 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0563 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0563 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5850 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5850 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1137 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1137 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1137 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1137 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5850 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5850 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0563 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0563 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3733 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3733 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3733 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3733 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9923 -0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9923 -0.8765 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 6 0 0 0 | + | 8 14 1 6 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 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL4DA9NS0007 | + | ID FL4DA9NS0007 |
− | KNApSAcK_ID C00008732 | + | KNApSAcK_ID C00008732 |
− | NAME (2R,3S)-Pinobanksin 3-acetate | + | NAME (2R,3S)-Pinobanksin 3-acetate |
− | CAS_RN 102092-27-3 | + | CAS_RN 102092-27-3 |
− | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
− | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
− | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
− | SMILES CC(=O)OC(C(=O)2)C(Oc(c3)c(c(O)cc(O)3)2)c(c1)cccc1 | + | SMILES CC(=O)OC(C(=O)2)C(Oc(c3)c(c(O)cc(O)3)2)c(c1)cccc1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.6070 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0861 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5652 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5652 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0861 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0443 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4766 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4766 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0443 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0443 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0861 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1137 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9196 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0563 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0563 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3733 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3733 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 -0.8765 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 6 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 S SKP 8 ID FL4DA9NS0007 KNApSAcK_ID C00008732 NAME (2R,3S)-Pinobanksin 3-acetate CAS_RN 102092-27-3 FORMULA C17H14O6 EXACTMASS 314.07903818 AVERAGEMASS 314.28945999999996 SMILES CC(=O)OC(C(=O)2)C(Oc(c3)c(c(O)cc(O)3)2)c(c1)cccc1 M END