Mol:FL5FFCNS0036
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3823 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3823 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3776 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3776 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6725 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6725 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0466 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0466 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0513 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0513 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6608 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6608 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4803 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4803 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7681 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7681 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0874 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0874 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8065 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8065 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8112 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8112 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1014 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1014 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1893 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1893 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1865 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1865 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4741 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4741 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7651 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7651 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1014 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1014 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6725 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6725 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4769 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4769 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7095 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7095 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3528 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3528 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9869 0.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9869 0.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4769 1.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4769 1.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9869 1.7078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9869 1.7078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0874 1.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0874 1.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7329 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7329 1.6510 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 |
| − | 10 19 1 0 0 0 0 | + | 10 19 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 14 1 0 0 0 0 | + | 24 14 1 0 0 0 0 |
| − | 9 25 1 0 0 0 0 | + | 9 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCNS0036 | + | ID FL5FFCNS0036 |
| − | KNApSAcK_ID C00013513 | + | KNApSAcK_ID C00013513 |
| − | NAME 2-(1,3-Benzodioxol-5-yl)-5,7-dihydroxy-3,8-dimethoxy-4H-1-benzopyran-4-one;3,8-dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone | + | NAME 2-(1,3-Benzodioxol-5-yl)-5,7-dihydroxy-3,8-dimethoxy-4H-1-benzopyran-4-one;3,8-dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone |
| − | CAS_RN 132537-17-8 | + | CAS_RN 132537-17-8 |
| − | FORMULA C18H14O8 | + | FORMULA C18H14O8 |
| − | EXACTMASS 358.068867424 | + | EXACTMASS 358.068867424 |
| − | AVERAGEMASS 358.29896 | + | AVERAGEMASS 358.29896 |
| − | SMILES c(c1OC)(O)cc(c(C2=O)c(OC(c(c4)cc(c3c4)OCO3)=C2OC)1)O | + | SMILES c(c1OC)(O)cc(c(C2=O)c(OC(c(c4)cc(c3c4)OCO3)=C2OC)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.3823 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3776 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6725 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0466 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0513 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6608 0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4803 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7681 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0874 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8065 0.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8112 -0.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1014 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1893 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1865 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4741 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7651 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1014 -1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6725 -1.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4769 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7095 -1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3528 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9869 0.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4769 1.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9869 1.7078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0874 1.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7329 1.6510 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
10 19 1 0 0 0 0
4 20 1 0 0 0 0
20 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 14 1 0 0 0 0
9 25 1 0 0 0 0
25 26 1 0 0 0 0
S SKP 8
ID FL5FFCNS0036
KNApSAcK_ID C00013513
NAME 2-(1,3-Benzodioxol-5-yl)-5,7-dihydroxy-3,8-dimethoxy-4H-1-benzopyran-4-one;3,8-dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
CAS_RN 132537-17-8
FORMULA C18H14O8
EXACTMASS 358.068867424
AVERAGEMASS 358.29896
SMILES c(c1OC)(O)cc(c(C2=O)c(OC(c(c4)cc(c3c4)OCO3)=C2OC)1)O
M END
