Mol:FL4DA9NP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 34 0 0 0 0 0 0 0 0999 V2000 | + | 30 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8965 0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8965 0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1764 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1764 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9053 -0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9053 -0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1925 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1925 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4769 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4769 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4656 0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4656 0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2362 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2362 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9543 -0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9543 -0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9611 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9611 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2544 1.0682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2544 1.0682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6829 1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6829 1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6918 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6918 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4109 2.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4109 2.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1193 1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1193 1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1129 1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1129 1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3930 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3930 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2213 -1.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2213 -1.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6611 -0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6611 -0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1764 1.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1764 1.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8965 2.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8965 2.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6166 1.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6166 1.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6166 1.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6166 1.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6261 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6261 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6261 -1.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6261 -1.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9053 -1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9053 -1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1925 -1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1925 -1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5606 -2.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5606 -2.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2767 -2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2767 -2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9281 2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9281 2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1193 1.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1193 1.7798 0.0000 C 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 4 1 0 0 0 0 | + | 26 4 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NP0002 | + | ID FL4DA9NP0002 |
| − | KNApSAcK_ID C00014392 | + | KNApSAcK_ID C00014392 |
| − | NAME MS II;3-Hydroxy-bis(6'',6''-dimethylpyrano[2'',3'':5,6][2'',3'':7,8]flavanone | + | NAME MS II;3-Hydroxy-bis(6'',6''-dimethylpyrano[2'',3'':5,6][2'',3'':7,8]flavanone |
| − | CAS_RN 182926-99-4 | + | CAS_RN 182926-99-4 |
| − | FORMULA C25H24O5 | + | FORMULA C25H24O5 |
| − | EXACTMASS 404.162373878 | + | EXACTMASS 404.162373878 |
| − | AVERAGEMASS 404.45506 | + | AVERAGEMASS 404.45506 |
| − | SMILES C(C(O)4)(=O)c(c12)c(OC(c(c5)cccc5)4)c(C=3)c(OC(C3)(C)C)c1C=CC(C)(C)O2 | + | SMILES C(C(O)4)(=O)c(c12)c(OC(c(c5)cccc5)4)c(C=3)c(OC(C3)(C)C)c1C=CC(C)(C)O2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-1.8965 0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1764 1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9053 -0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1925 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4769 -0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4656 0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2362 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9543 -0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9611 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2544 1.0682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6829 1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6918 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4109 2.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1193 1.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1129 1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3930 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2213 -1.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6611 -0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1764 1.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8965 2.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6166 1.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6166 1.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6261 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6261 -1.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9053 -1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1925 -1.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5606 -2.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2767 -2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9281 2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1193 1.7798 0.0000 C 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 6 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
8 18 1 1 0 0 0
2 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
3 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 4 1 0 0 0 0
25 27 1 0 0 0 0
25 28 1 0 0 0 0
21 29 1 0 0 0 0
21 30 1 0 0 0 0
S SKP 8
ID FL4DA9NP0002
KNApSAcK_ID C00014392
NAME MS II;3-Hydroxy-bis(6'',6''-dimethylpyrano[2'',3'':5,6][2'',3'':7,8]flavanone
CAS_RN 182926-99-4
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES C(C(O)4)(=O)c(c12)c(OC(c(c5)cccc5)4)c(C=3)c(OC(C3)(C)C)c1C=CC(C)(C)O2
M END
