Mol:FL2FHYGS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9197 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9197 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2071 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2071 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9165 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9165 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1998 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1998 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5129 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5129 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5092 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5092 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2292 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2292 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9418 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9418 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9381 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9381 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2218 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2218 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5919 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5919 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3080 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3080 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0208 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0208 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0177 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0177 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3016 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3016 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5887 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5887 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2302 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2302 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5452 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5452 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1998 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1998 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7002 1.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7002 1.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4871 -0.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4871 -0.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2170 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2170 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8043 -0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8043 -0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0060 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0060 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2125 -0.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2125 -0.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6251 0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6251 0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4235 0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4235 0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5804 0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5804 0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0603 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0603 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7002 0.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7002 0.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2530 0.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2530 0.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1775 -0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1775 -0.5359 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 9 21 1 0 0 0 0 | + | 9 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 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 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FHYGS0001 | + | ID FL2FHYGS0001 |
| − | KNApSAcK_ID C00014328 | + | KNApSAcK_ID C00014328 |
| − | NAME 2,5,7,4'-Tetrahydroxyflavanone 7-glucoside | + | NAME 2,5,7,4'-Tetrahydroxyflavanone 7-glucoside |
| − | CAS_RN 303049-59-4 | + | CAS_RN 303049-59-4 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES c(c1)(OC(O4)C(O)C(O)C(O)C4CO)cc(O2)c(C(CC2(c(c3)ccc(O)c3)O)=O)c1O | + | SMILES c(c1)(OC(O4)C(O)C(O)C(O)C4CO)cc(O2)c(C(CC2(c(c3)ccc(O)c3)O)=O)c1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.9197 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2071 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9165 -0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1998 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5129 -0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5092 0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2292 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9418 -0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9381 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2218 0.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5919 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3080 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0208 0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0177 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3016 1.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5887 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2302 -1.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5452 0.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1998 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7002 1.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4871 -0.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2170 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8043 -0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0060 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2125 -0.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6251 0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4235 0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5804 0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0603 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7002 0.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2530 0.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1775 -0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 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
1 18 1 0 0 0 0
4 19 1 0 0 0 0
14 20 1 0 0 0 0
9 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 18 1 0 0 0 0
S SKP 8
ID FL2FHYGS0001
KNApSAcK_ID C00014328
NAME 2,5,7,4'-Tetrahydroxyflavanone 7-glucoside
CAS_RN 303049-59-4
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES c(c1)(OC(O4)C(O)C(O)C(O)C4CO)cc(O2)c(C(CC2(c(c3)ccc(O)c3)O)=O)c1O
M END
