Mol:FL2F1CNI0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1300 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1300 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1300 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1300 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5737 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5737 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0174 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0174 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0174 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0174 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5737 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5737 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5389 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5389 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0952 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0952 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0952 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0952 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5389 -0.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5389 -0.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6513 -0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6513 -0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2182 -0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2182 -0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7852 -0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7852 -0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7852 0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7852 0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2182 0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2182 0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6513 0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6513 0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5389 -1.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5389 -1.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3520 0.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3520 0.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6861 -0.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6861 -0.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2182 1.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2182 1.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5737 0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5737 0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1298 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1298 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1298 1.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1298 1.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6859 1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6859 1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5737 1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5737 1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0362 1.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0362 1.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6861 -1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6861 -1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2422 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2422 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7971 -1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7971 -1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3520 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3520 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7971 -1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7971 -1.9255 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 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 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 2 27 1 0 0 0 0 | + | 2 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1CNI0002 | + | ID FL2F1CNI0002 |
| − | KNApSAcK_ID C00008286 | + | KNApSAcK_ID C00008286 |
| − | NAME Ovaliflavanone D | + | NAME Ovaliflavanone D |
| − | CAS_RN 75680-30-7 | + | CAS_RN 75680-30-7 |
| − | FORMULA C26H28O5 | + | FORMULA C26H28O5 |
| − | EXACTMASS 420.193674006 | + | EXACTMASS 420.193674006 |
| − | AVERAGEMASS 420.49752 | + | AVERAGEMASS 420.49752 |
| − | SMILES c(c4)(O1)c(cc(c4)C(C3)Oc(c(CC=C(C)C)2)c(C3=O)cc(CC=C(C)C)c(O)2)OC1 | + | SMILES c(c4)(O1)c(cc(c4)C(C3)Oc(c(CC=C(C)C)2)c(C3=O)cc(CC=C(C)C)c(O)2)OC1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.1300 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1300 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0174 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0174 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0952 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0952 -0.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 -0.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 -0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2182 -0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7852 -0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7852 0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2182 0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 -1.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3520 0.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6861 -0.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2182 1.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1298 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1298 1.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6859 1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 1.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0362 1.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6861 -1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2422 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 -1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3520 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 -1.9255 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
14 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
20 26 1 0 0 0 0
26 18 1 0 0 0 0
2 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
S SKP 8
ID FL2F1CNI0002
KNApSAcK_ID C00008286
NAME Ovaliflavanone D
CAS_RN 75680-30-7
FORMULA C26H28O5
EXACTMASS 420.193674006
AVERAGEMASS 420.49752
SMILES c(c4)(O1)c(cc(c4)C(C3)Oc(c(CC=C(C)C)2)c(C3=O)cc(CC=C(C)C)c(O)2)OC1
M END
