Mol:FL5FCCGL0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
− | -2.1637 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1637 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1637 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1637 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4493 -0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4493 -0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7348 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7348 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7348 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7348 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4493 1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4493 1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0203 -0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0203 -0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6941 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6941 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6941 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6941 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0203 1.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0203 1.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0203 -0.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0203 -0.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4083 1.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4083 1.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1365 1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1365 1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8646 1.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8646 1.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8646 2.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8646 2.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1365 2.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1365 2.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4083 2.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4083 2.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4493 -1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4493 -1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1365 3.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1365 3.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5927 2.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5927 2.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8782 1.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8782 1.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5927 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5927 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3748 -2.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3748 -2.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7873 -2.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7873 -2.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2072 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2072 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9917 -0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9917 -0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5792 -1.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5792 -1.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1592 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1592 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9582 -3.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9582 -3.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7467 -2.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7467 -2.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4083 -0.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4083 -0.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6197 -0.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6197 -0.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0009 -2.9362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0009 -2.9362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9603 -3.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9603 -3.5737 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 |
− | 8 31 1 0 0 0 0 | + | 8 31 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
− | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
− | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
− | 24 33 1 0 0 0 0 | + | 24 33 1 0 0 0 0 |
− | 30 34 1 0 0 0 0 | + | 30 34 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FCCGL0001 | + | ID FL5FCCGL0001 |
− | KNApSAcK_ID C00005506 | + | KNApSAcK_ID C00005506 |
− | NAME Rhamnetin 3-glucoside | + | NAME Rhamnetin 3-glucoside |
− | CAS_RN 27875-34-9 | + | CAS_RN 27875-34-9 |
− | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
− | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
− | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
− | SMILES c(c(C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)OC(O2)C(O)C(C(C(CO)2)O)O)1)cc(c(c1)O)O | + | SMILES c(c(C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)OC(O2)C(O)C(C(C(CO)2)O)O)1)cc(c(c1)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/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.1637 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1637 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7348 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7348 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0203 -0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6941 0.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6941 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0203 1.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0203 -0.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 1.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8646 1.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8646 2.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 2.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 2.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 3.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5927 2.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8782 1.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5927 1.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3748 -2.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7873 -2.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -1.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9582 -3.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7467 -2.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -0.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6197 -0.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0009 -2.9362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9603 -3.5737 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 8 31 1 0 0 0 0 3 18 1 0 0 0 0 16 19 1 0 0 0 0 15 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 26 31 1 0 0 0 0 25 32 1 0 0 0 0 24 33 1 0 0 0 0 30 34 1 0 0 0 0 S SKP 8 ID FL5FCCGL0001 KNApSAcK_ID C00005506 NAME Rhamnetin 3-glucoside CAS_RN 27875-34-9 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES c(c(C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)OC(O2)C(O)C(C(C(CO)2)O)O)1)cc(c(c1)O)O M END