Mol:FL2F1LNI0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
− | -1.5299 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5299 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0090 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0090 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4881 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4881 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4881 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4881 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0090 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0090 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5299 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5299 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0328 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0328 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5537 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5537 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5537 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5537 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0328 -1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0328 -1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0741 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0741 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0328 -2.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0328 -2.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6084 -1.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6084 -1.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1428 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1428 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1428 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1428 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6084 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6084 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0741 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0741 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6013 -0.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6013 -0.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0090 0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0090 0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0507 -1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0507 -1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5530 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5530 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0610 0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0610 0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5530 1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5530 1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0774 1.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0774 1.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0774 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0774 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5534 2.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5534 2.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6013 2.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6013 2.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0610 0.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0610 0.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5683 0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5683 0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5406 -0.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5406 -0.1057 0.0000 O 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 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
− | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
− | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
− | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
− | 20 6 1 0 0 0 0 | + | 20 6 1 0 0 0 0 |
− | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 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 |
− | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 22 29 2 0 0 0 0 | + | 22 29 2 0 0 0 0 |
− | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2F1LNI0001 | + | ID FL2F1LNI0001 |
− | KNApSAcK_ID C00008400 | + | KNApSAcK_ID C00008400 |
− | NAME Lehmannin | + | NAME Lehmannin |
− | CAS_RN 112613-52-2 | + | CAS_RN 112613-52-2 |
− | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
− | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
− | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
− | SMILES c(c3)(O)c(CC(C(C)=C)CC=C(C)C)c(c1c3)OC(c(c2)c(O)cc(O)c2)CC1=O | + | SMILES c(c3)(O)c(CC(C(C)=C)CC=C(C)C)c(c1c3)OC(c(c2)c(O)cc(O)c2)CC1=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/ 30 32 0 0 0 0 0 0 0 0999 V2000 -1.5299 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4881 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4881 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5299 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5537 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5537 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -2.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6084 -1.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6084 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6013 -0.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0507 -1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0774 1.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0774 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5534 2.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6013 2.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 0.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5683 0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5406 -0.1057 0.0000 O 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 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 15 18 1 0 0 0 0 5 19 1 0 0 0 0 20 6 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 22 28 1 0 0 0 0 22 29 2 0 0 0 0 17 30 1 0 0 0 0 S SKP 8 ID FL2F1LNI0001 KNApSAcK_ID C00008400 NAME Lehmannin CAS_RN 112613-52-2 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES c(c3)(O)c(CC(C(C)=C)CC=C(C)C)c(c1c3)OC(c(c2)c(O)cc(O)c2)CC1=O M END