Mol:FL3FAANP0008
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 |
| − | -0.3082 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3082 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3082 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3082 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7372 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7372 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7372 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7372 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4062 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4062 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1207 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1207 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1207 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1207 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4062 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4062 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8352 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8352 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5496 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5496 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2641 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2641 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2641 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2641 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5496 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5496 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8352 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8352 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4062 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4062 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9786 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9786 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4517 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4517 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1661 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1661 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1661 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1661 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4517 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4517 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9786 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9786 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4483 0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4483 0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8794 -1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8794 -1.0306 0.0000 O 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 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 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 5 1 0 0 0 0 | + | 23 5 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAANP0008 | + | ID FL3FAANP0008 |
| − | KNApSAcK_ID C00013433 | + | KNApSAcK_ID C00013433 |
| − | NAME Dinklagin B;(+)-3,4-Dihydro-3,5-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one | + | NAME Dinklagin B;(+)-3,4-Dihydro-3,5-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| − | CAS_RN 487010-50-4 | + | CAS_RN 487010-50-4 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES C(=O)(C=3)c(c(O)2)c(OC3c(c4)ccc(O)c4)cc(c21)OC(C)(C)C(O)C1 | + | SMILES C(=O)(C=3)c(c(O)2)c(OC3c(c4)ccc(O)c4)cc(c21)OC(C)(C)C(O)C1 |
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
-0.3082 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9786 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1661 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1661 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9786 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4483 0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8794 -1.0306 0.0000 O 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
6 18 1 0 0 0 0
19 14 1 0 0 0 0
4 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 5 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
22 26 1 0 0 0 0
S SKP 8
ID FL3FAANP0008
KNApSAcK_ID C00013433
NAME Dinklagin B;(+)-3,4-Dihydro-3,5-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
CAS_RN 487010-50-4
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES C(=O)(C=3)c(c(O)2)c(OC3c(c4)ccc(O)c4)cc(c21)OC(C)(C)C(O)C1
M END
