Mol:FL3FALNR0007
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 |
| − | -1.9362 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9362 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9362 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9362 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8236 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8236 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8236 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8236 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2673 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2673 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2890 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2890 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2890 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2890 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2673 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2673 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2673 -0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2673 -0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8451 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8451 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4121 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4121 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9790 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9790 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9790 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9790 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4121 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4121 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8451 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8451 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4925 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4925 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 -0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 -0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4925 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4925 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4121 -0.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4121 -0.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8451 -0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8451 -0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8344 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8344 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3851 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3851 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3744 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3744 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9452 -0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9452 -0.9880 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 |
| − | 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 |
| − | 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 22 21 1 0 0 0 0 | + | 22 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNR0007 | + | ID FL3FALNR0007 |
| − | KNApSAcK_ID C00004102 | + | KNApSAcK_ID C00004102 |
| − | NAME Cyclocommunol;3,8,10-Trihydroxy-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one | + | NAME Cyclocommunol;3,8,10-Trihydroxy-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one |
| − | CAS_RN 145643-96-5 | + | CAS_RN 145643-96-5 |
| − | FORMULA C20H16O6 | + | FORMULA C20H16O6 |
| − | EXACTMASS 352.094688244 | + | EXACTMASS 352.094688244 |
| − | AVERAGEMASS 352.33744 | + | AVERAGEMASS 352.33744 |
| − | SMILES c(O)(c1)ccc(C4=2)c1OC(C=C(C)C)C2C(=O)c(c(O4)3)c(cc(O)c3)O | + | SMILES c(O)(c1)ccc(C4=2)c1OC(C=C(C)C)C2C(=O)c(c(O4)3)c(cc(O)c3)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
-1.9362 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9362 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8236 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8236 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2673 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2890 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2890 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2673 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2673 -0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8451 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4121 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9790 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9790 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4121 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8451 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4925 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4925 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4121 -0.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8451 -0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8344 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3851 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3744 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9452 -0.9880 0.0000 C 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
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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
18 15 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
13 21 1 0 0 0 0
8 22 1 0 0 0 0
22 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL3FALNR0007
KNApSAcK_ID C00004102
NAME Cyclocommunol;3,8,10-Trihydroxy-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one
CAS_RN 145643-96-5
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES c(O)(c1)ccc(C4=2)c1OC(C=C(C)C)C2C(=O)c(c(O4)3)c(cc(O)c3)O
M END
