Mol:FL5FACNI0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0760 -1.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0760 -1.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0858 -0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0858 -0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3642 -1.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3642 -1.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3505 -1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3505 -1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3424 -0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3424 -0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3762 0.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3762 0.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.0569 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0569 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7975 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7975 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5131 -0.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5131 -0.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5031 -1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5031 -1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7894 -1.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7894 -1.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4833 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4833 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4469 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4469 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7131 1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7131 1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0385 1.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0385 1.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7894 -2.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7894 -2.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3642 -2.2632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3642 -2.2632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0650 -1.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0650 -1.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2276 0.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2276 0.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1614 1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1614 1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2175 -1.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2175 -1.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7131 2.3192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7131 2.3192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1977 -0.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1977 -0.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9219 0.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9219 0.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6207 -0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6207 -0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6207 -0.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6207 -0.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3538 0.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3538 0.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9295 -1.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9295 -1.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6561 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6561 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6561 -2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6561 -2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3538 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3538 -1.0721 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 |
| − | 11 22 1 0 0 0 0 | + | 11 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACNI0005 | + | ID FL5FACNI0005 |
| − | KNApSAcK_ID C00013522 | + | KNApSAcK_ID C00013522 |
| − | NAME Broussonol E;Papyriflavonol A;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Broussonol E;Papyriflavonol A;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 363134-28-5 | + | CAS_RN 363134-28-5 |
| − | FORMULA C25H26O7 | + | FORMULA C25H26O7 |
| − | EXACTMASS 438.167853186 | + | EXACTMASS 438.167853186 |
| − | AVERAGEMASS 438.46974 | + | AVERAGEMASS 438.46974 |
| − | SMILES c(c1)(c(c(cc(C(=C(O)3)Oc(c2C(=O)3)cc(O)c(c(O)2)CC=C(C)C)1)O)O)CC=C(C)C | + | SMILES c(c1)(c(c(cc(C(=C(O)3)Oc(c2C(=O)3)cc(O)c(c(O)2)CC=C(C)C)1)O)O)CC=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.0760 -1.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0858 -0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3642 -1.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3505 -1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3424 -0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3762 0.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7704 -0.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0569 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7975 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5131 -0.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5031 -1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7894 -1.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4833 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4469 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7131 1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0385 1.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7894 -2.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3642 -2.2632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0650 -1.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2276 0.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1614 1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2175 -1.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7131 2.3192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1977 -0.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9219 0.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 -0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 -0.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3538 0.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9295 -1.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6561 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6561 -2.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3538 -1.0721 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
11 22 1 0 0 0 0
15 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
22 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
S SKP 8
ID FL5FACNI0005
KNApSAcK_ID C00013522
NAME Broussonol E;Papyriflavonol A;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 363134-28-5
FORMULA C25H26O7
EXACTMASS 438.167853186
AVERAGEMASS 438.46974
SMILES c(c1)(c(c(cc(C(=C(O)3)Oc(c2C(=O)3)cc(O)c(c(O)2)CC=C(C)C)1)O)O)CC=C(C)C
M END
