Mol:FL2FA9NM0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
− | -1.5152 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5152 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5152 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5152 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0148 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5143 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5143 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5143 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5143 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0148 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0139 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0139 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4865 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4865 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4865 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4865 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0139 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0139 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9867 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9867 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5010 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5010 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0154 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0154 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0154 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0154 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5010 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5010 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9867 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9867 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4865 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4865 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0139 -1.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0139 -1.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0154 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0154 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0148 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0154 -0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0154 -0.7343 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 |
− | 4 7 1 0 0 0 0 | + | 4 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 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 |
− | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
− | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FA9NM0001 | + | ID FL2FA9NM0001 |
− | KNApSAcK_ID C00001006 | + | KNApSAcK_ID C00001006 |
− | NAME Strobopinin | + | NAME Strobopinin |
− | CAS_RN 491-66-7 | + | CAS_RN 491-66-7 |
− | FORMULA C16H14O4 | + | FORMULA C16H14O4 |
− | EXACTMASS 270.089208936 | + | EXACTMASS 270.089208936 |
− | AVERAGEMASS 270.27996 | + | AVERAGEMASS 270.27996 |
− | SMILES Oc(c1)c(C)c(O)c(C(=O)3)c1OC([H])(C3)c(c2)cccc2 | + | SMILES Oc(c1)c(C)c(O)c(C(=O)3)c1OC([H])(C3)c(c2)cccc2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -1.5152 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5152 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4865 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4865 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9867 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9867 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4865 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 -1.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0154 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0154 -0.7343 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 4 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 5 1 0 0 0 0 9 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 9 17 1 1 0 0 0 7 18 2 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 2 21 1 0 0 0 0 S SKP 8 ID FL2FA9NM0001 KNApSAcK_ID C00001006 NAME Strobopinin CAS_RN 491-66-7 FORMULA C16H14O4 EXACTMASS 270.089208936 AVERAGEMASS 270.27996 SMILES Oc(c1)c(C)c(O)c(C(=O)3)c1OC([H])(C3)c(c2)cccc2 M END