Mol:FL1C99GS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6328 0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6328 0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6328 -0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6328 -0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0788 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0788 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4752 -0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4752 -0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4752 0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4752 0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0788 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0788 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0289 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0289 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5815 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5815 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1328 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1328 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6829 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6829 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2213 -0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2213 -0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7597 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7597 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7597 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7597 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2213 0.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2213 0.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6829 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6829 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1865 0.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1865 0.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0289 -1.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0289 -1.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2459 0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2459 0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8747 0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8747 0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3402 0.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3402 0.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8244 0.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8244 0.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1992 0.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1992 0.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6668 0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6668 0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7597 0.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7597 0.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4533 -0.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4533 -0.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0339 -0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0339 -0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0653 1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0653 1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2684 0.9325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2684 0.9325 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 1 16 1 0 0 0 0 | + | 1 16 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 19 1 1 0 0 0 | + | 18 19 1 1 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 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 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 29 -7.0908 4.1437 | + | M SBV 1 29 -7.0908 4.1437 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C99GS0001 | + | ID FL1C99GS0001 |
| − | KNApSAcK_ID C00007181 | + | KNApSAcK_ID C00007181 |
| − | NAME 4'-Hydroxychalcone 4'-glucoside | + | NAME 4'-Hydroxychalcone 4'-glucoside |
| − | CAS_RN 82784-43-8 | + | CAS_RN 82784-43-8 |
| − | FORMULA C21H22O7 | + | FORMULA C21H22O7 |
| − | EXACTMASS 386.136553058 | + | EXACTMASS 386.136553058 |
| − | AVERAGEMASS 386.39518 | + | AVERAGEMASS 386.39518 |
| − | SMILES C(Oc(c2)ccc(C(=O)C=Cc(c3)cccc3)c2)(O1)C(O)C(O)C(O)C1CO | + | SMILES C(Oc(c2)ccc(C(=O)C=Cc(c3)cccc3)c2)(O1)C(O)C(O)C(O)C1CO |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-0.6328 0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6328 -0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0788 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4752 -0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4752 0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0788 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0289 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5815 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1328 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6829 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2213 -0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7597 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7597 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2213 0.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6829 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1865 0.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0289 -1.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2459 0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8747 0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3402 0.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8244 0.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1992 0.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6668 0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7597 0.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4533 -0.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0339 -0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0653 1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2684 0.9325 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
1 16 1 0 0 0 0
7 17 2 0 0 0 0
18 19 1 1 0 0 0
19 20 1 1 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 18 1 0 0 0 0
18 24 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
16 21 1 0 0 0 0
23 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 ^CH2OH
M SBV 1 29 -7.0908 4.1437
S SKP 8
ID FL1C99GS0001
KNApSAcK_ID C00007181
NAME 4'-Hydroxychalcone 4'-glucoside
CAS_RN 82784-43-8
FORMULA C21H22O7
EXACTMASS 386.136553058
AVERAGEMASS 386.39518
SMILES C(Oc(c2)ccc(C(=O)C=Cc(c3)cccc3)c2)(O1)C(O)C(O)C(O)C1CO
M END
