Mol:FL3FF9GS0007
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -0.3021 0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3021 0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3021 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3021 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1490 0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1490 0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6001 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6001 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6001 0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6001 0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1490 1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1490 1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0511 0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0511 0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5022 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5022 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5022 0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5022 0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0511 1.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0511 1.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0511 -0.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0511 -0.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9531 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9531 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4128 0.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4128 0.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8725 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8725 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8725 1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8725 1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4128 1.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4128 1.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9531 1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9531 1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1490 -0.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1490 -0.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7633 1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7633 1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2960 -0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2960 -0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7804 -1.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7804 -1.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0379 -1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0379 -1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3214 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3214 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8421 -0.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8421 -0.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6005 -0.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6005 -0.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8725 -1.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8725 -1.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5842 -1.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5842 -1.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6125 -1.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6125 -1.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1490 1.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1490 1.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8961 -0.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8961 -0.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1816 -0.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1816 -0.5610 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 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 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 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 -8.0143 7.6065 | + | M SBV 1 33 -8.0143 7.6065 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FF9GS0007 | + | ID FL3FF9GS0007 |
| − | KNApSAcK_ID C00004484 | + | KNApSAcK_ID C00004484 |
| − | NAME 5,7,8-Trihydroxyflavone 5-glucoside | + | NAME 5,7,8-Trihydroxyflavone 5-glucoside |
| − | CAS_RN 151261-87-9 | + | CAS_RN 151261-87-9 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES C(C1Oc(c42)cc(c(O)c2OC(=CC4=O)c(c3)cccc3)O)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c42)cc(c(O)c2OC(=CC4=O)c(c3)cccc3)O)(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/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.3021 0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3021 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1490 0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6001 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6001 0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1490 1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0511 0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5022 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5022 0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0511 1.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0511 -0.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9531 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4128 0.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8725 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8725 1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4128 1.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9531 1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1490 -0.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7633 1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2960 -0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7804 -1.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0379 -1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3214 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8421 -0.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6005 -0.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8725 -1.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5842 -1.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6125 -1.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1490 1.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8961 -0.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1816 -0.5610 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
3 18 1 0 0 0 0
19 1 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
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 18 1 0 0 0 0
6 29 1 0 0 0 0
25 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 -8.0143 7.6065
S SKP 8
ID FL3FF9GS0007
KNApSAcK_ID C00004484
NAME 5,7,8-Trihydroxyflavone 5-glucoside
CAS_RN 151261-87-9
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES C(C1Oc(c42)cc(c(O)c2OC(=CC4=O)c(c3)cccc3)O)(O)C(O)C(O)C(O1)CO
M END
