Mol:FL5FDFNM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0345 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0345 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0298 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0298 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3247 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3247 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3944 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3944 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3991 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3991 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3130 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3130 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8281 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8281 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1159 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1159 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7396 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7396 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4587 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4587 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4634 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4634 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7536 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7536 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5371 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5371 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5343 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5343 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8220 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8220 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1129 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1129 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7536 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7536 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3247 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3247 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2488 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2488 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1291 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1291 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0573 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0573 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7006 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7006 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1266 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1266 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2405 0.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2405 0.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9620 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9620 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9620 1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9620 1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9431 0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9431 0.6081 0.0000 C 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 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 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 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 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 11 23 1 0 0 0 0 | + | 11 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDFNM0001 | + | ID FL5FDFNM0001 |
| − | KNApSAcK_ID C00013512 | + | KNApSAcK_ID C00013512 |
| − | NAME 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one | + | NAME 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one |
| − | CAS_RN 54945-91-4 | + | CAS_RN 54945-91-4 |
| − | FORMULA C20H20O7 | + | FORMULA C20H20O7 |
| − | EXACTMASS 372.120902994 | + | EXACTMASS 372.120902994 |
| − | AVERAGEMASS 372.3686 | + | AVERAGEMASS 372.3686 |
| − | SMILES c(c1)c(OC)c(cc1C(O2)=C(C(c(c(O)3)c2cc(OC)c3C)=O)OC)OC | + | SMILES c(c1)c(OC)c(cc1C(O2)=C(C(c(c(O)3)c2cc(OC)c3C)=O)OC)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.0345 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0298 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3247 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3944 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3991 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3130 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8281 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1159 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7396 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4587 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4634 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7536 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5371 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5343 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8220 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1129 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7536 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3247 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2488 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1291 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0573 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7006 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1266 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2405 0.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9620 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9620 1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9431 0.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 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 1 2 0 0 0 0
7 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 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
14 19 1 0 0 0 0
10 20 1 0 0 0 0
4 21 1 0 0 0 0
21 22 1 0 0 0 0
11 23 1 0 0 0 0
13 24 1 0 0 0 0
20 25 1 0 0 0 0
19 26 1 0 0 0 0
24 27 1 0 0 0 0
S SKP 8
ID FL5FDFNM0001
KNApSAcK_ID C00013512
NAME 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one
CAS_RN 54945-91-4
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES c(c1)c(OC)c(cc1C(O2)=C(C(c(c(O)3)c2cc(OC)c3C)=O)OC)OC
M END
