Mol:FL5FADNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1857 -1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1857 -1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1809 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1809 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5013 -1.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5013 -1.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2326 -1.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2326 -1.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2536 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2536 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5359 0.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5359 0.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6476 -0.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6476 -0.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9506 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9506 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8683 0.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8683 0.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6009 -0.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6009 -0.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6129 -1.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6129 -1.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9190 -1.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9190 -1.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3916 0.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3916 0.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3730 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3730 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6535 1.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6535 1.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9726 0.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9726 0.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9057 -2.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9057 -2.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5146 -2.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5146 -2.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9536 -1.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9536 -1.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3219 0.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3219 0.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0907 1.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0907 1.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8683 0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8683 0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5828 1.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5828 1.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5828 1.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5828 1.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2972 2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2972 2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8683 2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8683 2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2526 -1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2526 -1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8913 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8913 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5633 -1.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5633 -1.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5633 -2.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5633 -2.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0907 -1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0907 -1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0854 -0.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0854 -0.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0854 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0854 -1.1307 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 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 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 9 22 1 0 0 0 0 | + | 9 22 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 |
| − | 11 27 1 0 0 0 0 | + | 11 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 13 32 1 0 0 0 0 | + | 13 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FADNI0002 | + | ID FL5FADNI0002 |
| − | KNApSAcK_ID C00013525 | + | KNApSAcK_ID C00013525 |
| − | NAME Dorsmanin D;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Dorsmanin D;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 211255-16-2 | + | CAS_RN 211255-16-2 |
| − | FORMULA C26H28O7 | + | FORMULA C26H28O7 |
| − | EXACTMASS 452.18350325 | + | EXACTMASS 452.18350325 |
| − | AVERAGEMASS 452.49631999999997 | + | AVERAGEMASS 452.49631999999997 |
| − | SMILES C(=C(C)C)Cc(c1O)c(O)c(C3=O)c(OC(=C3O)c(c2)cc(OC)c(O)c2)c1CC=C(C)C | + | SMILES C(=C(C)C)Cc(c1O)c(O)c(C3=O)c(OC(=C3O)c(c2)cc(OC)c(O)c2)c1CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-0.1857 -1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1809 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5013 -1.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2326 -1.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2536 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5359 0.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6476 -0.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9506 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8683 0.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6009 -0.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6129 -1.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9190 -1.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3916 0.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3730 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6535 1.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9726 0.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9057 -2.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5146 -2.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9536 -1.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3219 0.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0907 1.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8683 0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5828 1.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5828 1.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2972 2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8683 2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2526 -1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8913 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5633 -1.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5633 -2.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0907 -1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0854 -0.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0854 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 1 2 0 0 0 0
7 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 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
4 19 1 0 0 0 0
10 20 1 0 0 0 0
21 14 1 0 0 0 0
9 22 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
11 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
13 32 1 0 0 0 0
32 33 1 0 0 0 0
S SKP 8
ID FL5FADNI0002
KNApSAcK_ID C00013525
NAME Dorsmanin D;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 211255-16-2
FORMULA C26H28O7
EXACTMASS 452.18350325
AVERAGEMASS 452.49631999999997
SMILES C(=C(C)C)Cc(c1O)c(O)c(C3=O)c(OC(=C3O)c(c2)cc(OC)c(O)c2)c1CC=C(C)C
M END
