Mol:FL1C1ANP0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7323 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7323 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7323 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7323 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2886 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2886 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8449 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8449 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8449 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8449 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2886 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2886 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4753 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4753 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0316 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0316 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0808 -0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0808 -0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6417 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6417 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0808 -1.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0808 -1.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6417 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6417 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1944 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1944 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7470 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7470 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7470 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7470 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1944 -0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1944 -0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4010 0.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4010 0.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2995 -0.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2995 -0.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8509 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8509 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1944 -1.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1944 -1.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2995 0.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2995 0.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8509 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8509 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4010 0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4010 0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0449 1.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0449 1.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4010 -0.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4010 -0.5264 0.0000 O 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 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 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 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 19 1 0 0 0 0 | + | 22 19 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 4 25 1 0 0 0 0 | + | 4 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANP0007 | + | ID FL1C1ANP0007 |
| − | KNApSAcK_ID C00007093 | + | KNApSAcK_ID C00007093 |
| − | NAME 3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone | + | NAME 3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES c(c(O)1)(O)ccc(C=CC(c(c3O)ccc(c32)OC(C=C2)(C)C)=O)c1 | + | SMILES c(c(O)1)(O)ccc(C=CC(c(c3O)ccc(c32)OC(C=C2)(C)C)=O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
1.7323 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7323 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2886 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8449 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8449 0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2886 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4753 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0316 -0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0808 -0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6417 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0808 -1.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6417 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1944 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7470 0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7470 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1944 -0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4010 0.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2995 -0.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8509 -0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1944 -1.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2995 0.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8509 0.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4010 0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0449 1.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4010 -0.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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 1 2 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
5 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 2 0 0 0 0
16 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 19 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
4 25 1 0 0 0 0
S SKP 8
ID FL1C1ANP0007
KNApSAcK_ID C00007093
NAME 3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone
CAS_RN -
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES c(c(O)1)(O)ccc(C=CC(c(c3O)ccc(c32)OC(C=C2)(C)C)=O)c1
M END
