Mol:FL63ACNP0002
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 |
| − | 1.0509 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3403 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3403 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3703 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3703 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3703 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3703 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3403 -2.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3403 -2.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0509 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0809 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7914 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7914 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7914 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7914 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0809 -2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 -2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0809 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0809 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3806 -2.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3806 -2.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7426 -2.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7426 -2.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7615 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7615 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7615 -0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7615 -0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0509 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3403 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3403 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3806 -0.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3806 -0.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0509 0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7326 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7326 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7326 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7326 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0509 2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3692 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3692 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3692 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3692 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0509 2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0509 2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2801 2.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2801 2.1851 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 1 6 0 0 0 | + | 7 11 1 6 0 0 0 |
| − | 9 12 1 1 0 0 0 | + | 9 12 1 1 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 2 1 0 0 0 0 | + | 17 2 1 0 0 0 0 |
| − | 15 18 1 6 0 0 0 | + | 15 18 1 6 0 0 0 |
| − | 16 19 1 6 0 0 0 | + | 16 19 1 6 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63ACNP0002 | + | ID FL63ACNP0002 |
| − | KNApSAcK_ID C00013262 | + | KNApSAcK_ID C00013262 |
| − | NAME Pyranochromene;[2R-(2alpha,3alpha,8beta,10alpha)]-2-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-10-methyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,8-triol | + | NAME Pyranochromene;[2R-(2alpha,3alpha,8beta,10alpha)]-2-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-10-methyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,8-triol |
| − | CAS_RN 162871-91-2 | + | CAS_RN 162871-91-2 |
| − | FORMULA C19H20O7 | + | FORMULA C19H20O7 |
| − | EXACTMASS 360.120902994 | + | EXACTMASS 360.120902994 |
| − | AVERAGEMASS 360.3579 | + | AVERAGEMASS 360.3579 |
| − | SMILES C(C3c(c4)cc(O)c(O)c4)(O)Cc(c(O)1)c(O3)c(C(C)2)c(OC(O)C2)c1 | + | SMILES C(C3c(c4)cc(O)c(O)c4)(O)Cc(c(O)1)c(O3)c(C(C)2)c(OC(O)C2)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
1.0509 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3703 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3703 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 -2.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7914 -1.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7914 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 -2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 -0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3806 -2.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7426 -2.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7615 -1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7615 -0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3403 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3806 -0.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7326 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7326 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3692 1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3692 1.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 2.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2801 2.1851 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 1 6 0 0 0
9 12 1 1 0 0 0
6 13 1 0 0 0 0
1 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 2 1 0 0 0 0
15 18 1 6 0 0 0
16 19 1 6 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 19 1 0 0 0 0
22 25 1 0 0 0 0
21 26 1 0 0 0 0
S SKP 8
ID FL63ACNP0002
KNApSAcK_ID C00013262
NAME Pyranochromene;[2R-(2alpha,3alpha,8beta,10alpha)]-2-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-10-methyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,8-triol
CAS_RN 162871-91-2
FORMULA C19H20O7
EXACTMASS 360.120902994
AVERAGEMASS 360.3579
SMILES C(C3c(c4)cc(O)c(O)c4)(O)Cc(c(O)1)c(O3)c(C(C)2)c(OC(O)C2)c1
M END
