Mol:FL3FACNSS003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
− | -2.2538 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2538 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2538 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2538 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8027 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8027 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3517 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3517 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3517 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3517 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8027 0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8027 0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9006 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9006 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4495 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4495 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4495 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4495 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9006 0.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9006 0.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9006 -1.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9006 -1.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0014 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0014 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4611 -0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 -0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9208 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9208 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9208 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9208 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4611 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0014 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0014 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7733 0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7733 0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8027 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8027 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4611 1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2967 0.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2967 0.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2967 1.0580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2967 1.0580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7982 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7982 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7733 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7733 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2967 1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2967 1.5323 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 |
− | 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 2 0 0 0 0 | + | 8 9 2 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 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
− | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
− | 22 25 2 0 0 0 0 | + | 22 25 2 0 0 0 0 |
− | 23 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FACNSS003 | + | ID FL3FACNSS003 |
− | KNApSAcK_ID C00004330 | + | KNApSAcK_ID C00004330 |
− | NAME Luteolin 4'-sulfate | + | NAME Luteolin 4'-sulfate |
− | CAS_RN 60889-07-8 | + | CAS_RN 60889-07-8 |
− | FORMULA C15H10O9S | + | FORMULA C15H10O9S |
− | EXACTMASS 366.00455260800004 | + | EXACTMASS 366.00455260800004 |
− | AVERAGEMASS 366.30050000000006 | + | AVERAGEMASS 366.30050000000006 |
− | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(O)c(c2)OS(O)(=O)=O | + | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(O)c(c2)OS(O)(=O)=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/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.2538 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2538 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8027 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3517 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3517 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8027 0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 -1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 0.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 -1.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 -0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7733 0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8027 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 0.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 1.0580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7733 1.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 1.5323 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 18 1 1 0 0 0 0 3 19 1 0 0 0 0 16 20 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 23 15 1 0 0 0 0 S SKP 8 ID FL3FACNSS003 KNApSAcK_ID C00004330 NAME Luteolin 4'-sulfate CAS_RN 60889-07-8 FORMULA C15H10O9S EXACTMASS 366.00455260800004 AVERAGEMASS 366.30050000000006 SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(O)c(c2)OS(O)(=O)=O M END