Mol:FL1BAAGS0001
From Metabolomics.JP
(Difference between revisions)
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− | 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 |
− | -1.9721 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9721 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9721 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9721 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2576 -1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2576 -1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2576 -0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2576 -0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5432 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5432 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5432 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5432 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1711 -0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1711 -0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8874 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8874 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8865 -1.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8865 -1.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6629 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6629 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4269 -0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4269 -0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4379 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4379 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1580 -1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1580 -1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8667 -1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8667 -1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8554 -0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8554 -0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1354 -0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1354 -0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5163 -1.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5163 -1.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5579 -0.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5579 -0.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0331 1.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0331 1.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6205 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6205 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8222 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8222 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0287 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0287 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4412 1.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4412 1.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2396 0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2396 0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3966 1.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3966 1.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8765 1.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8765 1.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5163 0.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5163 0.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0692 0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0692 0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9936 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9936 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1711 0.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1711 0.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2576 0.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2576 0.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6139 -1.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6139 -1.7170 0.0000 O 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 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
− | 6 4 2 0 0 0 0 | + | 6 4 2 0 0 0 0 |
− | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 7 1 0 0 0 0 | + | 6 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 |
− | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
− | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 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 |
− | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
− | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
− | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 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 19 1 0 0 0 0 | + | 24 19 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 |
− | 19 27 1 0 0 0 0 | + | 19 27 1 0 0 0 0 |
− | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
− | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
− | 7 30 2 0 0 0 0 | + | 7 30 2 0 0 0 0 |
− | 4 31 1 0 0 0 0 | + | 4 31 1 0 0 0 0 |
− | 31 22 1 0 0 0 0 | + | 31 22 1 0 0 0 0 |
− | 2 32 1 0 0 0 0 | + | 2 32 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1BAAGS0001 | + | ID FL1BAAGS0001 |
− | KNApSAcK_ID C00014669 | + | KNApSAcK_ID C00014669 |
− | NAME Hovetrichoside C;2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 4-O-glucoside;Maesopsin 4-O-glucoside | + | NAME Hovetrichoside C;2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 4-O-glucoside;Maesopsin 4-O-glucoside |
− | CAS_RN 210050-28-5 | + | CAS_RN 210050-28-5 |
− | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
− | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
− | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
− | SMILES C(C1Oc(c42)cc(O)cc(OC(O)(C4=O)Cc(c3)ccc(O)c3)2)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c42)cc(O)cc(OC(O)(C4=O)Cc(c3)ccc(O)c3)2)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
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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 -1.9721 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9721 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2576 -1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2576 -0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1711 -0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8874 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8865 -1.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6629 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4269 -0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4379 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8554 -0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 -0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5163 -1.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 -0.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0331 1.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6205 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8222 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0287 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4412 1.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2396 0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3966 1.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8765 1.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5163 0.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0692 0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1711 0.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2576 0.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6139 -1.7170 0.0000 O 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 5 2 0 0 0 0 6 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 10 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 14 17 1 0 0 0 0 8 18 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 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 19 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 7 30 2 0 0 0 0 4 31 1 0 0 0 0 31 22 1 0 0 0 0 2 32 1 0 0 0 0 S SKP 8 ID FL1BAAGS0001 KNApSAcK_ID C00014669 NAME Hovetrichoside C;2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 4-O-glucoside;Maesopsin 4-O-glucoside CAS_RN 210050-28-5 FORMULA C21H22O11 EXACTMASS 450.116211546 AVERAGEMASS 450.39278 SMILES C(C1Oc(c42)cc(O)cc(OC(O)(C4=O)Cc(c3)ccc(O)c3)2)(O)C(O)C(O)C(O1)CO M END