Mol:FL3FCCGS0002
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
− | -2.7121 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7121 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7121 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7121 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2610 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2610 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8100 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8100 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8100 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8100 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2610 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2610 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3589 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3589 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9078 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9078 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9078 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9078 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3589 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3589 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1872 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1872 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4569 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4569 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0028 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0028 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4625 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4625 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4625 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4625 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0028 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0028 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4569 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4569 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2610 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2610 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0028 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0028 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0527 0.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0527 0.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0202 -0.4431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.0202 -0.4431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 2.6484 -0.8058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.6484 -0.8058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.4491 -0.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.4491 -0.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 2.6484 0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6484 0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0202 0.9562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.0202 0.9562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.2195 0.2587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.2195 0.2587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.9898 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9898 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1816 -1.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1816 -1.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4969 -1.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4969 -1.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0693 -0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0693 -0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0693 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0693 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5692 1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5692 1.3417 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 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 |
− | 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 |
− | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 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 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
− | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
− | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 1 31 1 0 0 0 0 | + | 1 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
− | M SBL 1 1 34 | + | M SBL 1 1 34 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 34 -3.0693 0.4756 | + | M SVB 1 34 -3.0693 0.4756 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FCCGS0002 | + | ID FL3FCCGS0002 |
− | KNApSAcK_ID C00004334 | + | KNApSAcK_ID C00004334 |
− | NAME Luteolin 7-methyl ether 4'-rhamnoside | + | NAME Luteolin 7-methyl ether 4'-rhamnoside |
− | CAS_RN 31159-36-1 | + | CAS_RN 31159-36-1 |
− | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
− | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
− | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
− | SMILES O([C@@H]1Oc(c(O)2)ccc(C(O4)=CC(c(c34)c(cc(c3)OC)O)=O)c2)C([C@@H](O)[C@H]([C@@H]1O)O)C | + | SMILES O([C@@H]1Oc(c(O)2)ccc(C(O4)=CC(c(c34)c(cc(c3)OC)O)=O)c2)C([C@@H](O)[C@H]([C@@H]1O)O)C |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.7121 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7121 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3589 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9078 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9078 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3589 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4569 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4569 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0527 0.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 -0.4431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6484 -0.8058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4491 -0.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6484 0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 0.9562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2195 0.2587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9898 0.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1816 -1.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4969 -1.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0693 -0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0693 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5692 1.3417 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 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 3 18 1 0 0 0 0 16 19 1 0 0 0 0 20 15 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 25 20 1 0 0 0 0 1 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 -3.0693 0.4756 S SKP 8 ID FL3FCCGS0002 KNApSAcK_ID C00004334 NAME Luteolin 7-methyl ether 4'-rhamnoside CAS_RN 31159-36-1 FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES O([C@@H]1Oc(c(O)2)ccc(C(O4)=CC(c(c34)c(cc(c3)OC)O)=O)c2)C([C@@H](O)[C@H]([C@@H]1O)O)C M END