Mol:FL3FADNP0002
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4289 -0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 1.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 1.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 1.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 2.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 2.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 1.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 1.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -1.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -1.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 1.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 1.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 2.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 2.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.7285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.7285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 -0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 -1.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -1.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -1.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -1.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3276 -2.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3276 -2.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3882 -2.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3882 -2.3785 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 |
| − | 2 3 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 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 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 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 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 6 1 0 0 0 0 | + | 25 6 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 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 FL3FADNP0002 | + | ID FL3FADNP0002 |
| − | KNApSAcK_ID C00013437 | + | KNApSAcK_ID C00013437 |
| − | NAME Ciliatin B;3,4-Dihydro-5-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-one | + | NAME Ciliatin B;3,4-Dihydro-5-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-one |
| − | CAS_RN 539826-42-1 | + | CAS_RN 539826-42-1 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES c(c1)(C(=C4)Oc(c3C(=O)4)cc(O)c(c32)CCC(C)(C)O2)cc(c(O)c1)OC | + | SMILES c(c1)(C(=C4)Oc(c3C(=O)4)cc(O)c(c32)CCC(C)(C)O2)cc(c(O)c1)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 30 0 0 0 0 0 0 0 0999 V2000
-1.4289 -0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 1.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 2.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 1.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 2.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.7285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -1.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3276 -2.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3882 -2.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 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 1 1 0 0 0 0
1 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 2 1 0 0 0 0
9 11 1 0 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
4 18 1 0 0 0 0
14 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 6 1 0 0 0 0
24 26 1 0 0 0 0
24 27 1 0 0 0 0
S SKP 8
ID FL3FADNP0002
KNApSAcK_ID C00013437
NAME Ciliatin B;3,4-Dihydro-5-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-one
CAS_RN 539826-42-1
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES c(c1)(C(=C4)Oc(c3C(=O)4)cc(O)c(c32)CCC(C)(C)O2)cc(c(O)c1)OC
M END
