Mol:FL2FACNP0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
− | -2.5295 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5295 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5295 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5295 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9732 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9732 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4169 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4169 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4169 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4169 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9732 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9732 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8606 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8606 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3043 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3043 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3043 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3043 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8606 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8606 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2518 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2518 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8188 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8188 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3857 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3857 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8188 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8188 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2518 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2518 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8606 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8606 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9732 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9732 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0856 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0856 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8188 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8188 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9525 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9525 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9525 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9525 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5182 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5182 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5182 0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5182 0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0856 1.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0856 1.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6936 1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6936 1.4521 0.0000 C 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 |
− | 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 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
− | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FACNP0001 | + | ID FL2FACNP0001 |
− | KNApSAcK_ID C00008320 | + | KNApSAcK_ID C00008320 |
− | NAME Sigmoidin C | + | NAME Sigmoidin C |
− | CAS_RN 101923-93-7 | + | CAS_RN 101923-93-7 |
− | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
− | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
− | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
− | SMILES c(c(O)4)c(O)c(c(c4)1)C(=O)CC(c(c2)cc(C=3)c(OC(C3)(C)C)c(O)2)O1 | + | SMILES c(c(O)4)c(O)c(c(c4)1)C(=O)CC(c(c2)cc(C=3)c(OC(C3)(C)C)c(O)2)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -2.5295 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5295 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9732 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4169 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4169 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9732 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8606 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3043 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3043 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8606 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2518 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8188 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8188 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2518 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8606 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9732 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0856 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8188 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9525 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9525 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0856 1.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6936 1.4521 0.0000 C 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 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 14 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 21 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 S SKP 8 ID FL2FACNP0001 KNApSAcK_ID C00008320 NAME Sigmoidin C CAS_RN 101923-93-7 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES c(c(O)4)c(O)c(c(c4)1)C(=O)CC(c(c2)cc(C=3)c(OC(C3)(C)C)c(O)2)O1 M END