Mol:FLNAA9NP0004
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
− | -0.8657 0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8657 0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3094 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3094 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2467 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2467 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2467 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2467 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8234 -0.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8234 -0.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4002 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4002 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4002 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4002 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8234 0.9913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8234 0.9913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8655 0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8655 0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3094 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3094 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8234 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8234 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2705 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2705 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2705 -1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2705 -1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8234 -2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8234 -2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3764 -1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3764 -1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3764 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3764 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9765 0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9765 0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3094 1.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3094 1.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8657 1.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8657 1.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4220 0.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4220 0.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4220 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4220 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4216 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4216 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4216 -0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4216 -0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8655 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8655 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4220 2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4220 2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9004 1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9004 1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8655 -1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8655 -1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9765 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9765 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9595 0.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9595 0.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7862 -0.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7862 -0.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0717 -0.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0717 -0.8545 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
− | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
− | 5 11 1 0 0 0 0 | + | 5 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
− | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
− | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
− | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
− | 9 22 1 0 0 0 0 | + | 9 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 |
− | 21 20 1 0 0 0 0 | + | 21 20 1 0 0 0 0 |
− | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
− | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
− | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
− | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
− | 22 29 2 0 0 0 0 | + | 22 29 2 0 0 0 0 |
− | 10 30 1 0 0 0 0 | + | 10 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
− | M SBL 1 1 33 | + | M SBL 1 1 33 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 33 -5.3998 4.2277 | + | M SBV 1 33 -5.3998 4.2277 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLNAA9NP0004 | + | ID FLNAA9NP0004 |
− | KNApSAcK_ID C00010215 | + | KNApSAcK_ID C00010215 |
− | NAME Apetalolide | + | NAME Apetalolide |
− | CAS_RN 22562-09-0 | + | CAS_RN 22562-09-0 |
− | FORMULA C26H24O5 | + | FORMULA C26H24O5 |
− | EXACTMASS 416.162373878 | + | EXACTMASS 416.162373878 |
− | AVERAGEMASS 416.46576 | + | AVERAGEMASS 416.46576 |
− | SMILES C(O4)(=O)C=C(c(c43)c(c(C(=O)C(C)=CC)c(c23)OC(C=C2)(C)C)OC)c(c1)cccc1 | + | SMILES C(O4)(=O)C=C(c(c43)c(c(C(=O)C(C)=CC)c(c23)OC(C=C2)(C)C)OC)c(c1)cccc1 |
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 34 0 0 0 0 0 0 0 0999 V2000 -0.8657 0.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3094 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2467 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2467 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8234 -0.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 -0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8234 0.9913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8655 0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3094 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8234 -1.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2705 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2705 -1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8234 -2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3764 -1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3764 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9765 0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3094 1.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8657 1.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 0.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4216 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4216 -0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8655 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 2.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9004 1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8655 -1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9765 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9595 0.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7862 -0.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0717 -0.8545 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 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 2 18 1 0 0 0 0 18 19 2 0 0 0 0 20 1 1 0 0 0 0 19 21 1 0 0 0 0 9 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 21 20 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 24 27 1 0 0 0 0 23 28 1 0 0 0 0 22 29 2 0 0 0 0 10 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 OCH3 M SBV 1 33 -5.3998 4.2277 S SKP 8 ID FLNAA9NP0004 KNApSAcK_ID C00010215 NAME Apetalolide CAS_RN 22562-09-0 FORMULA C26H24O5 EXACTMASS 416.162373878 AVERAGEMASS 416.46576 SMILES C(O4)(=O)C=C(c(c43)c(c(C(=O)C(C)=CC)c(c23)OC(C=C2)(C)C)OC)c(c1)cccc1 M END