Mol:FL1CACNN0001
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | 1.3653 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3653 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3653 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3653 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9216 -1.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9216 -1.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4779 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4779 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4779 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4779 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9216 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9216 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2321 -0.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2321 -0.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7884 -1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7884 -1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3240 -1.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3240 -1.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8849 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8849 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3240 -1.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3240 -1.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8849 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8849 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4376 0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4376 0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9902 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9902 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9902 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9902 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4376 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4376 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4376 -1.8767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4376 -1.8767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5427 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5427 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3323 0.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3323 0.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3323 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3323 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8849 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8849 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4376 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4376 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3084 1.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3084 1.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9859 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9859 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9859 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9859 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5099 1.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5099 1.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0340 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0340 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0340 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0340 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5099 0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5099 0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0340 0.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0340 0.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0340 -1.2739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0340 -1.2739 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 |
| − | 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 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 8 1 0 0 0 0 | + | 2 8 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 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 13 1 0 0 0 0 | + | 22 13 1 0 0 0 0 |
| − | 20 23 2 0 0 0 0 | + | 20 23 2 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 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 24 22 1 0 0 0 0 | + | 24 22 1 0 0 0 0 |
| − | 5 30 1 0 0 0 0 | + | 5 30 1 0 0 0 0 |
| − | 4 31 1 0 0 0 0 | + | 4 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CACNN0001 | + | ID FL1CACNN0001 |
| − | KNApSAcK_ID C00007164 | + | KNApSAcK_ID C00007164 |
| − | NAME 8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin | + | NAME 8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin |
| − | CAS_RN 73536-05-7 | + | CAS_RN 73536-05-7 |
| − | FORMULA C24H18O7 | + | FORMULA C24H18O7 |
| − | EXACTMASS 418.10525293 | + | EXACTMASS 418.10525293 |
| − | AVERAGEMASS 418.39552000000003 | + | AVERAGEMASS 418.39552000000003 |
| − | SMILES O=C(C3)Oc(c(C(c(c4)cccc4)3)2)c(c(cc2O)O)C(C=Cc(c1)cc(O)c(c1)O)=O | + | SMILES O=C(C3)Oc(c(C(c(c4)cccc4)3)2)c(c(cc2O)O)C(C=Cc(c1)cc(O)c(c1)O)=O |
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
1.3653 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3653 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9216 -1.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4779 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4779 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9216 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2321 -0.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7884 -1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3240 -1.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8849 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3240 -1.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8849 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4376 0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9902 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9902 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4376 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4376 -1.8767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5427 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3323 0.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3323 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8849 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4376 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3084 1.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9859 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9859 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5099 1.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0340 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0340 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5099 0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0340 0.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0340 -1.2739 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
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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 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
12 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 13 1 0 0 0 0
20 23 2 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 24 1 0 0 0 0
24 22 1 0 0 0 0
5 30 1 0 0 0 0
4 31 1 0 0 0 0
S SKP 8
ID FL1CACNN0001
KNApSAcK_ID C00007164
NAME 8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
CAS_RN 73536-05-7
FORMULA C24H18O7
EXACTMASS 418.10525293
AVERAGEMASS 418.39552000000003
SMILES O=C(C3)Oc(c(C(c(c4)cccc4)3)2)c(c(cc2O)O)C(C=Cc(c1)cc(O)c(c1)O)=O
M END
