Mol:FL5F1CGL0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1604 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1604 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1604 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1604 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6041 -1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6041 -1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0478 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0478 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0478 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0478 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6041 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6041 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5085 -1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5085 -1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0648 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0648 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0648 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0648 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5085 0.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5085 0.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5085 -1.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5085 -1.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6209 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6209 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1878 -0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1878 -0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7548 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7548 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7548 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7548 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1878 1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1878 1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6209 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6209 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7165 0.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7165 0.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4982 -1.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4982 -1.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3216 1.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3216 1.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1878 1.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1878 1.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5920 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5920 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2966 -1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2966 -1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8647 -1.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8647 -1.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4361 -1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4361 -1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7316 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7316 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1635 -1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1635 -1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1879 -1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1879 -1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3974 -0.6515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3974 -0.6515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1578 -1.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1578 -1.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9798 -0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9798 -0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6086 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6086 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0741 -0.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0741 -0.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5584 -0.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5584 -0.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9331 0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9331 0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4007 -0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4007 -0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4936 -0.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4936 -0.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1872 -0.5219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1872 -0.5219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7678 -0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7678 -0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7791 -1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7791 -1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4936 -1.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4936 -1.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5911 0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5911 0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8766 0.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8766 0.4153 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 18 1 0 0 0 0 | + | 34 18 1 0 0 0 0 |
| − | 25 40 1 0 0 0 0 | + | 25 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 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 40 41 | + | M SAL 1 2 40 41 |
| − | M SBL 1 1 44 | + | M SBL 1 1 44 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 44 -6.1758 3.5321 | + | M SBV 1 44 -6.1758 3.5321 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 42 43 | + | M SAL 2 2 42 43 |
| − | M SBL 2 1 46 | + | M SBL 2 1 46 |
| − | M SMT 2 ^CH2OH | + | M SMT 2 ^CH2OH |
| − | M SBV 2 46 -6.7091 4.4855 | + | M SBV 2 46 -6.7091 4.4855 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1CGL0002 | + | ID FL5F1CGL0002 |
| − | KNApSAcK_ID C00005303 | + | KNApSAcK_ID C00005303 |
| − | NAME Fisetin 3,7-diglucoside | + | NAME Fisetin 3,7-diglucoside |
| − | CAS_RN 83086-31-1 | + | CAS_RN 83086-31-1 |
| − | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
| − | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
| − | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
| − | SMILES OC(C1Oc(c5)ccc(c35)C(=O)C(=C(c(c4)ccc(O)c4O)O3)OC(O2)C(O)C(O)C(C2CO)O)C(O)C(O)C(O1)CO | + | SMILES OC(C1Oc(c5)ccc(c35)C(=O)C(=C(c(c4)ccc(O)c4O)O3)OC(O2)C(O)C(O)C(C2CO)O)C(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-1.1604 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1604 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6041 -1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0478 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0478 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6041 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5085 -1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0648 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0648 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5085 0.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5085 -1.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6209 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1878 -0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7548 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7548 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1878 1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6209 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7165 0.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4982 -1.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3216 1.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1878 1.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5920 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2966 -1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8647 -1.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4361 -1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7316 -0.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1635 -1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1879 -1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3974 -0.6515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1578 -1.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9798 -0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6086 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0741 -0.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5584 -0.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9331 0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4007 -0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4936 -0.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1872 -0.5219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7678 -0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7791 -1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4936 -1.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5911 0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8766 0.4153 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
20 15 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 19 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 18 1 0 0 0 0
25 40 1 0 0 0 0
40 41 1 0 0 0 0
36 42 1 0 0 0 0
42 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 -6.1758 3.5321
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 46
M SMT 2 ^CH2OH
M SBV 2 46 -6.7091 4.4855
S SKP 8
ID FL5F1CGL0002
KNApSAcK_ID C00005303
NAME Fisetin 3,7-diglucoside
CAS_RN 83086-31-1
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES OC(C1Oc(c5)ccc(c35)C(=O)C(=C(c(c4)ccc(O)c4O)O3)OC(O2)C(O)C(O)C(C2CO)O)C(O)C(O)C(O1)CO
M END
