Mol:FL1CACNP0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 40 43 0 0 0 0 0 0 0 0999 V2000 | + | 40 43 0 0 0 0 0 0 0 0999 V2000 |
− | 2.5722 0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5722 0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5722 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5722 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1285 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1285 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6848 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6848 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6848 0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6848 0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1285 0.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1285 0.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4390 0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4390 0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9953 -0.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9953 -0.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8829 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8829 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3220 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3220 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8829 -0.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8829 -0.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3220 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3220 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2307 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2307 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7833 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7833 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7833 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7833 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2307 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2307 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2307 -0.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2307 -0.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3358 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3358 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3358 0.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3358 0.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8746 0.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8746 0.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8746 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8746 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3220 1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3220 1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2307 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2307 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0486 2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0486 2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2732 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2732 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9533 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9533 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5256 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5256 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0978 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0978 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0978 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0978 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5256 -1.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5256 -1.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9533 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9533 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5256 0.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5256 0.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6694 -0.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6694 -0.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2409 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2409 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6694 0.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6694 0.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6694 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6694 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5256 -2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5256 -2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3818 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3818 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2409 0.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2409 0.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2409 -0.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2409 -0.3133 0.0000 O 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 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
− | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
− | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
− | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 23 13 1 0 0 0 0 | + | 23 13 1 0 0 0 0 |
− | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
− | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
− | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
− | 26 27 2 0 0 0 0 | + | 26 27 2 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 |
− | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
− | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
− | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
− | 28 33 1 0 0 0 0 | + | 28 33 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 33 35 2 0 0 0 0 | + | 33 35 2 0 0 0 0 |
− | 29 36 1 0 0 0 0 | + | 29 36 1 0 0 0 0 |
− | 30 37 1 0 0 0 0 | + | 30 37 1 0 0 0 0 |
− | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
− | 5 39 1 0 0 0 0 | + | 5 39 1 0 0 0 0 |
− | 4 40 1 0 0 0 0 | + | 4 40 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1CACNP0001 | + | ID FL1CACNP0001 |
− | KNApSAcK_ID C00007160 | + | KNApSAcK_ID C00007160 |
− | NAME 3,4-Dihydroxyrottlerin | + | NAME 3,4-Dihydroxyrottlerin |
− | CAS_RN 24650-82-6 | + | CAS_RN 24650-82-6 |
− | FORMULA C30H28O10 | + | FORMULA C30H28O10 |
− | EXACTMASS 548.168247116 | + | EXACTMASS 548.168247116 |
− | AVERAGEMASS 548.53732 | + | AVERAGEMASS 548.53732 |
− | SMILES C(c(c4)ccc(c4O)O)=CC(c(c2O)c(c1c(O)c2Cc(c3O)c(O)c(c(c(C(C)=O)3)O)C)OC(C)(C)C=C1)=O | + | SMILES C(c(c4)ccc(c4O)O)=CC(c(c2O)c(c1c(O)c2Cc(c3O)c(O)c(c(c(C(C)=O)3)O)C)OC(C)(C)C=C1)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 40 43 0 0 0 0 0 0 0 0999 V2000 2.5722 0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5722 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1285 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1285 0.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9953 -0.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8829 -0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8829 -0.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2307 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2307 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2307 -0.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3358 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3358 0.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 0.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 1.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2307 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2732 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9533 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5256 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5256 -1.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9533 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5256 0.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6694 -0.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2409 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6694 0.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6694 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5256 -2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3818 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2409 0.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2409 -0.3133 0.0000 O 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 14 19 1 0 0 0 0 12 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 13 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 18 26 1 0 0 0 0 26 27 2 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 30 31 2 0 0 0 0 31 26 1 0 0 0 0 27 32 1 0 0 0 0 28 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 29 36 1 0 0 0 0 30 37 1 0 0 0 0 31 38 1 0 0 0 0 5 39 1 0 0 0 0 4 40 1 0 0 0 0 S SKP 8 ID FL1CACNP0001 KNApSAcK_ID C00007160 NAME 3,4-Dihydroxyrottlerin CAS_RN 24650-82-6 FORMULA C30H28O10 EXACTMASS 548.168247116 AVERAGEMASS 548.53732 SMILES C(c(c4)ccc(c4O)O)=CC(c(c2O)c(c1c(O)c2Cc(c3O)c(O)c(c(c(C(C)=O)3)O)C)OC(C)(C)C=C1)=O M END