Mol:FL3FE8GS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5399 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5399 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5399 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5399 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1746 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1746 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8891 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8891 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8891 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8891 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1746 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1746 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6035 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6035 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3180 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3180 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3180 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3180 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6035 0.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6035 0.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0325 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0325 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7470 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7470 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4614 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4614 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4614 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4614 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7470 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7470 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0325 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0325 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6035 -1.8398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6035 -1.8398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2595 0.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2595 0.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7470 -0.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7470 -0.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1746 -1.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1746 -1.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2947 -1.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2947 -1.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0318 -0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0318 -0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9782 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9782 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5656 0.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5656 0.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7672 0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7672 0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9738 0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9738 0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3863 0.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3863 0.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1847 0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1847 0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3417 1.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3417 1.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8216 1.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8216 1.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4614 0.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4614 0.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0143 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0143 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9387 -0.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9387 -0.1690 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 |
| − | 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FE8GS0002 | + | ID FL3FE8GS0002 |
| − | KNApSAcK_ID C00013650 | + | KNApSAcK_ID C00013650 |
| − | NAME 5,7,2'-Trihydroxy-6-methoxyflavone 7-O-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(2-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one | + | NAME 5,7,2'-Trihydroxy-6-methoxyflavone 7-O-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(2-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 226879-03-4 | + | CAS_RN 226879-03-4 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES COc(c3OC(C(O)4)OC(CO)C(C4O)O)c(c(c2c3)C(=O)C=C(O2)c(c1O)cccc1)O | + | SMILES COc(c3OC(C(O)4)OC(CO)C(C4O)O)c(c(c2c3)C(=O)C=C(O2)c(c1O)cccc1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.5399 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1746 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8891 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8891 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1746 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6035 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3180 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3180 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6035 0.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0325 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7470 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4614 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4614 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7470 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0325 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6035 -1.8398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2595 0.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7470 -0.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1746 -1.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2947 -1.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0318 -0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9782 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5656 0.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7672 0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9738 0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3863 0.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1847 0.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3417 1.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8216 1.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4614 0.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0143 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9387 -0.1690 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
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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
12 19 1 0 0 0 0
3 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 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 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 18 1 0 0 0 0
S SKP 8
ID FL3FE8GS0002
KNApSAcK_ID C00013650
NAME 5,7,2'-Trihydroxy-6-methoxyflavone 7-O-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(2-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
CAS_RN 226879-03-4
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES COc(c3OC(C(O)4)OC(CO)C(C4O)O)c(c(c2c3)C(=O)C=C(O2)c(c1O)cccc1)O
M END
