Mol:FL2F19NI0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6796 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6796 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 -1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 -0.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -0.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -0.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -0.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 -0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 -0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 -0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 -0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 0.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 0.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6679 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6679 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2357 -0.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 -0.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6679 1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6679 1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2121 1.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2121 1.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1237 1.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1237 1.8572 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 |
| − | 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 |
| − | 4 7 1 0 0 0 0 | + | 4 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F19NI0003 | + | ID FL2F19NI0003 |
| − | KNApSAcK_ID C00008136 | + | KNApSAcK_ID C00008136 |
| − | NAME Ovaliflavanone B | + | NAME Ovaliflavanone B |
| − | CAS_RN 78045-73-5 | + | CAS_RN 78045-73-5 |
| − | FORMULA C20H20O3 | + | FORMULA C20H20O3 |
| − | EXACTMASS 308.141244506 | + | EXACTMASS 308.141244506 |
| − | AVERAGEMASS 308.371 | + | AVERAGEMASS 308.371 |
| − | SMILES C(c(c3O)c(c(cc3)2)OC(CC2=O)c(c1)cccc1)C=C(C)C | + | SMILES C(c(c3O)c(c(cc3)2)OC(CC2=O)c(c1)cccc1)C=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.6796 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -0.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -0.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 -0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 -0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 0.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6679 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 -0.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6679 1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2121 1.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1237 1.8572 0.0000 C 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
4 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 5 1 0 0 0 0
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
6 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 0 0 0 0
19 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
S SKP 8
ID FL2F19NI0003
KNApSAcK_ID C00008136
NAME Ovaliflavanone B
CAS_RN 78045-73-5
FORMULA C20H20O3
EXACTMASS 308.141244506
AVERAGEMASS 308.371
SMILES C(c(c3O)c(c(cc3)2)OC(CC2=O)c(c1)cccc1)C=C(C)C
M END
