Mol:FL5FACNI0006
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.1544 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1544 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1504 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1504 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4538 -1.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4538 -1.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7297 -1.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7297 -1.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7211 -0.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7211 -0.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4340 -0.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4340 -0.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7011 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7011 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0066 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0066 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8511 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8511 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5762 -0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5762 -0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5815 -1.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5815 -1.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8771 -1.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8771 -1.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4267 0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4267 0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3935 0.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3935 0.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6598 1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6598 1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0100 0.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0100 0.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8771 -2.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8771 -2.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4538 -2.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4538 -2.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0153 -1.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0153 -1.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2907 0.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2907 0.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1080 1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1080 1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6598 2.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6598 2.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1412 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1412 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8639 0.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8639 0.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5741 -0.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5741 -0.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5741 -1.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5741 -1.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2907 0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2907 0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8511 0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8511 0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5623 1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5623 1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5623 2.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5623 2.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2760 2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2760 2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8471 2.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8471 2.4787 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 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 9 28 1 0 0 0 0 | + | 9 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 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 FL5FACNI0006 | + | ID FL5FACNI0006 |
| − | KNApSAcK_ID C00013523 | + | KNApSAcK_ID C00013523 |
| − | NAME Broussonol D;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Broussonol D;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 370563-90-9 | + | CAS_RN 370563-90-9 |
| − | FORMULA C25H26O7 | + | FORMULA C25H26O7 |
| − | EXACTMASS 438.167853186 | + | EXACTMASS 438.167853186 |
| − | AVERAGEMASS 438.46974 | + | AVERAGEMASS 438.46974 |
| − | SMILES Oc(c1)c(c(cc(C(=C3O)Oc(c(C(=O)3)2)c(c(cc(O)2)O)CC=C(C)C)1)CC=C(C)C)O | + | SMILES Oc(c1)c(c(cc(C(=C3O)Oc(c(C(=O)3)2)c(c(cc(O)2)O)CC=C(C)C)1)CC=C(C)C)O |
M END | M END | ||
| − | |||
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
-2.1544 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1504 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4538 -1.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7297 -1.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7211 -0.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4340 -0.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7011 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0066 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8511 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5762 -0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5815 -1.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8771 -1.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4267 0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3935 0.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6598 1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0100 0.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8771 -2.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4538 -2.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0153 -1.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2907 0.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1080 1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6598 2.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1412 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8639 0.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5741 -0.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5741 -1.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2907 0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8511 0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5623 1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5623 2.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2760 2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8471 2.4787 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
15 22 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
9 28 1 0 0 0 0
28 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 FL5FACNI0006
KNApSAcK_ID C00013523
NAME Broussonol D;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 370563-90-9
FORMULA C25H26O7
EXACTMASS 438.167853186
AVERAGEMASS 438.46974
SMILES Oc(c1)c(c(cc(C(=C3O)Oc(c(C(=O)3)2)c(c(cc(O)2)O)CC=C(C)C)1)CC=C(C)C)O
M END
