Mol:FLIA2AGS0001
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
− | -3.8111 1.4322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8111 1.4322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2548 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2548 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6985 1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6985 1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1424 1.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1424 1.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1424 0.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1424 0.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5657 0.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5657 0.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9889 0.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9889 0.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9889 1.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9889 1.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5657 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5657 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2546 0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2546 0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6985 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6985 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5657 -0.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5657 -0.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4126 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4126 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4126 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4126 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1387 -0.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1387 -0.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6901 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6901 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6901 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6901 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1387 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1387 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2414 -0.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2414 -0.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9094 -0.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9094 -0.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2806 -0.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2806 -0.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8151 -0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8151 -0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3309 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3309 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9561 -0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9561 -0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4885 -0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4885 -0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1214 0.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1214 0.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8111 -0.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8111 -0.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3068 -0.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3068 -0.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7165 0.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7165 0.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8149 -1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8149 -1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5294 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5294 -1.4442 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
− | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
− | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
− | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
− | 7 13 1 0 0 0 0 | + | 7 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
− | 10 29 1 0 0 0 0 | + | 10 29 1 0 0 0 0 |
− | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
− | M SBL 1 1 33 | + | M SBL 1 1 33 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 33 -6.7966 3.1309 | + | M SBV 1 33 -6.7966 3.1309 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIA2AGS0001 | + | ID FLIA2AGS0001 |
− | KNApSAcK_ID C00010084 | + | KNApSAcK_ID C00010084 |
− | NAME Demethyltexasin 4'-O-glucoside; 6,7,4'-Trihydroxyisoflavone 4'-O-glucoside | + | NAME Demethyltexasin 4'-O-glucoside; 6,7,4'-Trihydroxyisoflavone 4'-O-glucoside |
− | CAS_RN 34307-23-8 | + | CAS_RN 34307-23-8 |
− | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
− | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
− | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
− | SMILES c(c1C(C3=O)=COc(c4)c3cc(O)c(O)4)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 | + | SMILES c(c1C(C3=O)=COc(c4)c3cc(O)c(O)4)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -3.8111 1.4322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2548 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6985 1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1424 1.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1424 0.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5657 0.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9889 0.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9889 1.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5657 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2546 0.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6985 0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5657 -0.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1387 -0.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6901 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6901 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1387 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2414 -0.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9094 -0.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2806 -0.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 -0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3309 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9561 -0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4885 -0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1214 0.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8111 -0.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3068 -0.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7165 0.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 -1.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5294 -1.4442 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 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 6 12 2 0 0 0 0 7 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 19 20 1 0 0 0 0 24 28 1 0 0 0 0 10 29 1 0 0 0 0 22 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 CH2OH M SBV 1 33 -6.7966 3.1309 S SKP 8 ID FLIA2AGS0001 KNApSAcK_ID C00010084 NAME Demethyltexasin 4'-O-glucoside; 6,7,4'-Trihydroxyisoflavone 4'-O-glucoside CAS_RN 34307-23-8 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES c(c1C(C3=O)=COc(c4)c3cc(O)c(O)4)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 M END