Mol:FL3FGAGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 47 51 0 0 0 0 0 0 0 0999 V2000 | + | 47 51 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.0199 2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0199 2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0199 1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0199 1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7344 0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7344 0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4489 1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4489 1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4489 2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4489 2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7344 2.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7344 2.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3054 0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3054 0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5910 1.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5910 1.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8765 0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8765 0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8765 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8765 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5910 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5910 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3054 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3054 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1620 1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1620 1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5524 0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5524 0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5524 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5524 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1620 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1620 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5910 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5910 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2669 1.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2669 1.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1620 -1.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1620 -1.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1544 2.4282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1544 2.4282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1620 1.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1620 1.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2024 -0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2024 -0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8991 -0.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8991 -0.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8229 2.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8229 2.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5998 2.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5998 2.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5420 -1.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5420 -1.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9578 -2.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9578 -2.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2416 -1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2416 -1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4167 -1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4167 -1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0009 -1.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0009 -1.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7171 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7171 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0211 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0211 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5564 -0.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5564 -0.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8827 -2.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8827 -2.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4582 -2.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4582 -2.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2406 -2.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2406 -2.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4823 -1.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4823 -1.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8980 -2.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8980 -2.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1819 -1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1819 -1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3569 -1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3569 -1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9412 -1.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9412 -1.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6574 -1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6574 -1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9614 -0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9614 -0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4966 -0.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4966 -0.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.8229 -2.0661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.8229 -2.0661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3985 -1.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3985 -1.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1808 -2.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1808 -2.3091 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 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 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 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
| − | 37 38 1 1 0 0 0 | + | 37 38 1 1 0 0 0 |
| − | 38 39 1 1 0 0 0 | + | 38 39 1 1 0 0 0 |
| − | 40 39 1 1 0 0 0 | + | 40 39 1 1 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 37 1 0 0 0 0 | + | 42 37 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 37 45 1 0 0 0 0 | + | 37 45 1 0 0 0 0 |
| − | 38 46 1 0 0 0 0 | + | 38 46 1 0 0 0 0 |
| − | 39 47 1 0 0 0 0 | + | 39 47 1 0 0 0 0 |
| − | 40 33 1 0 0 0 0 | + | 40 33 1 0 0 0 0 |
| − | 19 29 1 0 0 0 0 | + | 19 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FGAGS0004 | + | ID FL3FGAGS0004 |
| − | KNApSAcK_ID C00013706 | + | KNApSAcK_ID C00013706 |
| − | NAME Nevadensin 5-gentiobioside;5-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Nevadensin 5-gentiobioside;5-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 178405-55-5 | + | CAS_RN 178405-55-5 |
| − | FORMULA C30H36O17 | + | FORMULA C30H36O17 |
| − | EXACTMASS 668.1952497259999 | + | EXACTMASS 668.1952497259999 |
| − | AVERAGEMASS 668.59664 | + | AVERAGEMASS 668.59664 |
| − | SMILES OCC(C(O)5)OC(C(O)C(O)5)OCC(O1)C(C(C(C(Oc(c24)c(OC)c(O)c(c2OC(=CC4=O)c(c3)ccc(c3)OC)OC)1)O)O)O | + | SMILES OCC(C(O)5)OC(C(O)C(O)5)OCC(O1)C(C(C(C(Oc(c24)c(OC)c(O)c(c2OC(=CC4=O)c(c3)ccc(c3)OC)OC)1)O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
3.0199 2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0199 1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7344 0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4489 1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4489 2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7344 2.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3054 0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5910 1.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8765 0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8765 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5910 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3054 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1620 1.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5524 0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5524 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1620 -0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5910 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2669 1.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1620 -1.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1544 2.4282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1620 1.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2024 -0.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8991 -0.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8229 2.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5998 2.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5420 -1.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9578 -2.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2416 -1.7768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4167 -1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0009 -1.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7171 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0211 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5564 -0.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8827 -2.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4582 -2.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2406 -2.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4823 -1.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8980 -2.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1819 -1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3569 -1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9412 -1.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6574 -1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9614 -0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4966 -0.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8229 -2.0661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3985 -1.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1808 -2.3091 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 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
5 20 1 0 0 0 0
13 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
20 24 1 0 0 0 0
21 25 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
37 38 1 1 0 0 0
38 39 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 37 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
37 45 1 0 0 0 0
38 46 1 0 0 0 0
39 47 1 0 0 0 0
40 33 1 0 0 0 0
19 29 1 0 0 0 0
S SKP 8
ID FL3FGAGS0004
KNApSAcK_ID C00013706
NAME Nevadensin 5-gentiobioside;5-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 178405-55-5
FORMULA C30H36O17
EXACTMASS 668.1952497259999
AVERAGEMASS 668.59664
SMILES OCC(C(O)5)OC(C(O)C(O)5)OCC(O1)C(C(C(C(Oc(c24)c(OC)c(O)c(c2OC(=CC4=O)c(c3)ccc(c3)OC)OC)1)O)O)O
M END
