Mol:FL5FAANN0002
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 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.9121 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9121 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9121 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9121 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3558 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3558 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7995 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7995 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7995 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7995 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3558 0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3558 0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2432 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2432 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6869 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6869 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6869 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6869 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2432 0.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2432 0.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2432 -1.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2432 -1.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0135 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0135 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5805 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5805 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1475 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1475 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1475 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1475 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5805 1.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5805 1.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0135 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0135 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5766 0.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5766 0.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5808 1.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5808 1.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3558 -1.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3558 -1.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1030 -0.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1030 -0.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4223 -1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4223 -1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4223 -1.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4223 -1.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9730 -0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9730 -0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5231 -1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5231 -1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0721 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0721 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5737 -1.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5737 -1.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0753 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0753 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0753 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0753 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5737 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5737 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0721 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0721 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5766 0.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5766 0.0101 0.0000 O 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 |
| − | 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 22 21 1 0 0 0 0 | + | 22 21 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 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 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 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 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAANN0002 | + | ID FL5FAANN0002 |
| − | KNApSAcK_ID C00006061 | + | KNApSAcK_ID C00006061 |
| − | NAME Kaempferol 3-p-coumarate | + | NAME Kaempferol 3-p-coumarate |
| − | CAS_RN 41496-40-6 | + | CAS_RN 41496-40-6 |
| − | FORMULA C24H16O8 | + | FORMULA C24H16O8 |
| − | EXACTMASS 432.08451748799996 | + | EXACTMASS 432.08451748799996 |
| − | AVERAGEMASS 432.37904000000003 | + | AVERAGEMASS 432.37904000000003 |
| − | SMILES c(c12)(OC(c(c4)ccc(c4)O)=C(OC(C=Cc(c3)ccc(O)c3)=O)C2=O)cc(cc(O)1)O | + | SMILES c(c12)(OC(c(c4)ccc(c4)O)=C(OC(C=Cc(c3)ccc(O)c3)=O)C2=O)cc(cc(O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.9121 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9121 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3558 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7995 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7995 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3558 0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2432 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6869 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6869 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2432 0.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2432 -1.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0135 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5805 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1475 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1475 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5805 1.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0135 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5766 0.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5808 1.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3558 -1.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1030 -0.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4223 -1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4223 -1.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9730 -0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5231 -1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0721 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5737 -1.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0753 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0753 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5737 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0721 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5766 0.0101 0.0000 O 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
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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 17 2 0 0 0 0
17 12 1 0 0 0 0
4 3 1 0 0 0 0
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 3 1 0 0 0 0
8 21 1 0 0 0 0
22 21 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 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
30 31 2 0 0 0 0
31 26 1 0 0 0 0
29 32 1 0 0 0 0
S SKP 8
ID FL5FAANN0002
KNApSAcK_ID C00006061
NAME Kaempferol 3-p-coumarate
CAS_RN 41496-40-6
FORMULA C24H16O8
EXACTMASS 432.08451748799996
AVERAGEMASS 432.37904000000003
SMILES c(c12)(OC(c(c4)ccc(c4)O)=C(OC(C=Cc(c3)ccc(O)c3)=O)C2=O)cc(cc(O)1)O
M END
