Mol:FL5FABGP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 41 0 0 0 0 0 0 0 0999 V2000 | + | 37 41 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1833 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1833 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1833 0.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1833 0.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6270 -0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 -0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0707 0.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0707 0.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0707 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0707 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6270 1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5144 -0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5144 -0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0419 0.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0419 0.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0419 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0419 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5144 1.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5144 1.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5144 -0.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5144 -0.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5980 1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5980 1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1650 0.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1650 0.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7320 1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7320 1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7320 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7320 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1650 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1650 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5980 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5980 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6270 -0.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 -0.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5980 -0.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5980 -0.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5136 -1.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5136 -1.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1418 -1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1418 -1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9424 -0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9424 -0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1418 -0.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1418 -0.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5136 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5136 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7128 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7128 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4832 -0.5331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4832 -0.5331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6749 -1.8371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6749 -1.8371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9902 -2.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9902 -2.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5627 -1.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5627 -1.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6270 1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1526 2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1526 2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6782 1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6782 1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6782 1.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6782 1.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0913 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0913 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2221 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2221 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5076 2.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5076 2.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2221 1.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2221 1.7508 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 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 21 20 1 1 0 0 0 | + | 21 20 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 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 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 20 1 1 0 0 0 | + | 25 20 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 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 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 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 |
| − | 33 1 1 0 0 0 0 | + | 33 1 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 32 35 1 0 0 0 0 | + | 32 35 1 0 0 0 0 |
| − | 15 36 1 0 0 0 0 | + | 15 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 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 36 37 | + | M SAL 1 2 36 37 |
| − | M SBL 1 1 40 | + | M SBL 1 1 40 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 40 -6.0854 5.4156 | + | M SBV 1 40 -6.0854 5.4156 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FABGP0001 | + | ID FL5FABGP0001 |
| − | KNApSAcK_ID C00005837 | + | KNApSAcK_ID C00005837 |
| − | NAME 6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside | + | NAME 6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside |
| − | CAS_RN 143601-07-4 | + | CAS_RN 143601-07-4 |
| − | FORMULA C27H28O10 | + | FORMULA C27H28O10 |
| − | EXACTMASS 512.168247116 | + | EXACTMASS 512.168247116 |
| − | AVERAGEMASS 512.50522 | + | AVERAGEMASS 512.50522 |
| − | SMILES O(C(C)1)C(OC(=C(c(c5)ccc(OC)c5)2)C(c(c3O)c(c(C=4)c(OC(C4)(C)C)c3)O2)=O)C(O)C(O)C1O | + | SMILES O(C(C)1)C(OC(=C(c(c5)ccc(OC)c5)2)C(c(c3O)c(c(C=4)c(OC(C4)(C)C)c3)O2)=O)C(O)C(O)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 41 0 0 0 0 0 0 0 0999 V2000
-2.1833 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1833 0.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 -0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0707 0.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0707 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 -0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 0.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 1.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 -0.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1650 0.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1650 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 -0.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 -0.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5136 -1.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1418 -1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9424 -0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1418 -0.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5136 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7128 -0.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4832 -0.5331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6749 -1.8371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9902 -2.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5627 -1.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1526 2.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6782 1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6782 1.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0913 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2221 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5076 2.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2221 1.7508 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
8 19 1 0 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 20 1 1 0 0 0
25 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
24 19 1 0 0 0 0
6 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 1 1 0 0 0 0
32 34 1 0 0 0 0
32 35 1 0 0 0 0
15 36 1 0 0 0 0
36 37 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 40
M SMT 1 OCH3
M SBV 1 40 -6.0854 5.4156
S SKP 8
ID FL5FABGP0001
KNApSAcK_ID C00005837
NAME 6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside
CAS_RN 143601-07-4
FORMULA C27H28O10
EXACTMASS 512.168247116
AVERAGEMASS 512.50522
SMILES O(C(C)1)C(OC(=C(c(c5)ccc(OC)c5)2)C(c(c3O)c(c(C=4)c(OC(C4)(C)C)c3)O2)=O)C(O)C(O)C1O
M END
