Mol:FL2FAANF0002
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 |
| − | -1.0025 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0025 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4816 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4816 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0393 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0393 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0393 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0393 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4816 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4816 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0025 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0025 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5601 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5601 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0810 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0810 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0810 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0810 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5601 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5601 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6014 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6014 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5601 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5601 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1358 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1358 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6701 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6701 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6701 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6701 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1358 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1358 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6014 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6014 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4816 -1.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4816 -1.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1946 0.8816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1946 0.8816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5745 -0.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5745 -0.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9281 -0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9281 -0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5745 -1.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5745 -1.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5289 -0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5289 -0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8294 -1.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8294 -1.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1946 -0.6394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1946 -0.6394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8440 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8440 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4816 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4816 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0020 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0020 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0020 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0020 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5224 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5224 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4816 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4816 1.7647 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 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 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 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 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 5 27 1 0 0 0 0 | + | 5 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 FL2FAANF0002 | + | ID FL2FAANF0002 |
| − | KNApSAcK_ID C00008426 | + | KNApSAcK_ID C00008426 |
| − | NAME Lonchocarpol D | + | NAME Lonchocarpol D |
| − | CAS_RN 111545-14-3 | + | CAS_RN 111545-14-3 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES C(c(c4)ccc(c4)O)(C3)Oc(c2C(=O)3)c(c(c(c2O)1)OC(C1)C(C)(C)O)CC=C(C)C | + | SMILES C(c(c4)ccc(c4)O)(C3)Oc(c2C(=O)3)c(c(c(c2O)1)OC(C1)C(C)(C)O)CC=C(C)C |
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
-1.0025 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4816 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0393 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0393 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4816 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0025 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5601 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0810 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0810 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5601 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6014 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5601 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1358 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6701 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6701 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1358 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6014 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4816 -1.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1946 0.8816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5745 -0.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9281 -0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5745 -1.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5289 -0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8294 -1.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1946 -0.6394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8440 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4816 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0020 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0020 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5224 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4816 1.7647 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
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
15 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
5 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 FL2FAANF0002
KNApSAcK_ID C00008426
NAME Lonchocarpol D
CAS_RN 111545-14-3
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES C(c(c4)ccc(c4)O)(C3)Oc(c2C(=O)3)c(c(c(c2O)1)OC(C1)C(C)(C)O)CC=C(C)C
M END
