Mol:FL1D1CNP0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.2564 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2564 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2564 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2564 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2083 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2083 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6731 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6731 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6731 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6731 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2083 1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2083 1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8240 0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8240 0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2884 0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2884 0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7528 0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7528 0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2160 0.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2160 0.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7528 -0.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7528 -0.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2160 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2160 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6995 1.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6995 1.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1830 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1830 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1830 0.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1830 0.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6995 0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6995 0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6995 -0.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6995 -0.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6665 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6665 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1375 1.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1375 1.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1375 0.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1375 0.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2083 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2083 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6727 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6727 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1375 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1375 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3044 -1.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3044 -1.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6445 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6445 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1506 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1506 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6567 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6567 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1616 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1616 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6665 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6665 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1616 -1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1616 -1.1015 0.0000 C 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 |
| − | 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 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 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 20 1 0 0 0 0 | + | 23 20 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1D1CNP0001 | + | ID FL1D1CNP0001 |
| − | KNApSAcK_ID C00008019 | + | KNApSAcK_ID C00008019 |
| − | NAME 4,2',4'-Trihydroxy-6''-methyl-6''-(4-methyl-3-pentenyl)pyrano[2'',3'':3,2]dihydrochalcone | + | NAME 4,2',4'-Trihydroxy-6''-methyl-6''-(4-methyl-3-pentenyl)pyrano[2'',3'':3,2]dihydrochalcone |
| − | CAS_RN 116207-29-5 | + | CAS_RN 116207-29-5 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES c(c1)(ccc(C(CCc(c3)c(C=2)c(c(O)c3)OC(C2)(C)CCC=C(C)C)=O)c1O)O | + | SMILES c(c1)(ccc(C(CCc(c3)c(C=2)c(c(O)c3)OC(C2)(C)CCC=C(C)C)=O)c1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-0.2564 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2564 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2083 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6731 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6731 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2083 1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8240 0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2884 0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7528 0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2160 0.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7528 -0.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2160 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6995 1.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1830 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1830 0.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6995 0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6995 -0.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6665 1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1375 1.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1375 0.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2083 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6727 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1375 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3044 -1.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6445 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1506 -0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6567 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1616 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6665 -0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1616 -1.1015 0.0000 C 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
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 7 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
14 18 1 0 0 0 0
5 19 1 0 0 0 0
4 20 1 0 0 0 0
3 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 20 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL1D1CNP0001
KNApSAcK_ID C00008019
NAME 4,2',4'-Trihydroxy-6''-methyl-6''-(4-methyl-3-pentenyl)pyrano[2'',3'':3,2]dihydrochalcone
CAS_RN 116207-29-5
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES c(c1)(ccc(C(CCc(c3)c(C=2)c(c(O)c3)OC(C2)(C)CCC=C(C)C)=O)c1O)O
M END
