Mol:FL1CA9NN0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.6434 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6434 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6434 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6434 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1997 -1.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1997 -1.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7560 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7560 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7560 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7560 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1997 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1997 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5102 -0.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5102 -0.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0665 -1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0665 -1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0459 -1.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0459 -1.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6069 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6069 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0459 -1.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0459 -1.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6069 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6069 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1595 0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1595 0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7122 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7122 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7122 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7122 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1595 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1595 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1595 -1.8767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1595 -1.8767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2647 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2647 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0542 0.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0542 0.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0542 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0542 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6069 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6069 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1595 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1595 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5865 1.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5865 1.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7078 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7078 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7078 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7078 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2319 1.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2319 1.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7560 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7560 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7560 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7560 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2319 0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2319 0.6837 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 |
| − | 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NN0001 | + | ID FL1CA9NN0001 |
| − | KNApSAcK_ID C00007162 | + | KNApSAcK_ID C00007162 |
| − | NAME 8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin | + | NAME 8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin |
| − | CAS_RN 73536-03-5 | + | CAS_RN 73536-03-5 |
| − | FORMULA C24H18O5 | + | FORMULA C24H18O5 |
| − | EXACTMASS 386.115423686 | + | EXACTMASS 386.115423686 |
| − | AVERAGEMASS 386.39672 | + | AVERAGEMASS 386.39672 |
| − | SMILES C(C(c(c32)c(cc(c(C(c(c4)cccc4)CC(=O)O3)2)O)O)=O)=Cc(c1)cccc1 | + | SMILES C(C(c(c32)c(cc(c(C(c(c4)cccc4)CC(=O)O3)2)O)O)=O)=Cc(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
1.6434 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6434 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1997 -1.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7560 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7560 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1997 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5102 -0.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0665 -1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0459 -1.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6069 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0459 -1.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6069 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1595 0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7122 -0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7122 -0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1595 -1.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1595 -1.8767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2647 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0542 0.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0542 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6069 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1595 0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5865 1.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7078 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7078 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2319 1.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7560 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7560 0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2319 0.6837 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
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
S SKP 8
ID FL1CA9NN0001
KNApSAcK_ID C00007162
NAME 8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
CAS_RN 73536-03-5
FORMULA C24H18O5
EXACTMASS 386.115423686
AVERAGEMASS 386.39672
SMILES C(C(c(c32)c(cc(c(C(c(c4)cccc4)CC(=O)O3)2)O)O)=O)=Cc(c1)cccc1
M END
