Mol:FL4DA9NN0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5146 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5146 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9937 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9937 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4728 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4728 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4728 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4728 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9937 0.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9937 0.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5146 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5146 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9519 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9519 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4311 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4311 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4311 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4311 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9519 0.9629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9519 0.9629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9519 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9519 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9937 -0.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9937 -0.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0213 0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0213 0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0120 -0.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0120 -0.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1486 0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1486 0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2061 0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2061 0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2061 1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2061 1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1486 1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1486 1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2888 -0.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2888 -0.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1371 -1.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1371 -1.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8667 -0.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8667 -0.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1554 -1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1554 -1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7944 -1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7944 -1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1012 -1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1012 -1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7146 -1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7146 -1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0213 -1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0213 -1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7146 -0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7146 -0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1012 -0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1012 -0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 8 14 1 1 0 0 0 | + | 8 14 1 1 0 0 0 |
| − | 9 15 1 6 0 0 0 | + | 9 15 1 6 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NN0001 | + | ID FL4DA9NN0001 |
| − | KNApSAcK_ID C00008735 | + | KNApSAcK_ID C00008735 |
| − | NAME Pinobanksin 3-cinnamate | + | NAME Pinobanksin 3-cinnamate |
| − | CAS_RN 110065-73-1 | + | CAS_RN 110065-73-1 |
| − | FORMULA C24H18O6 | + | FORMULA C24H18O6 |
| − | EXACTMASS 402.110338308 | + | EXACTMASS 402.110338308 |
| − | AVERAGEMASS 402.39612 | + | AVERAGEMASS 402.39612 |
| − | SMILES Oc(c31)cc(cc1OC(C(OC(=O)C=Cc(c4)cccc4)C3=O)c(c2)cccc2)O | + | SMILES Oc(c31)cc(cc1OC(C(OC(=O)C=Cc(c4)cccc4)C3=O)c(c2)cccc2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.5146 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9937 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4728 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4728 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9937 0.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5146 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9519 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4311 0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4311 0.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9519 0.9629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9519 -0.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9937 -0.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0213 0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0120 -0.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1486 0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2061 0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2061 1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1486 1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2888 -0.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1371 -1.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8667 -0.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1554 -1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7944 -1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1012 -1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7146 -1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0213 -1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7146 -0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1012 -0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
6 13 1 0 0 0 0
8 14 1 1 0 0 0
9 15 1 6 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 15 1 0 0 0 0
14 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 25 1 0 0 0 0
S SKP 8
ID FL4DA9NN0001
KNApSAcK_ID C00008735
NAME Pinobanksin 3-cinnamate
CAS_RN 110065-73-1
FORMULA C24H18O6
EXACTMASS 402.110338308
AVERAGEMASS 402.39612
SMILES Oc(c31)cc(cc1OC(C(OC(=O)C=Cc(c4)cccc4)C3=O)c(c2)cccc2)O
M END
