Mol:FL4DA9NS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0454 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0454 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5245 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5245 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0037 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0037 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0037 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0037 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5245 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5245 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0454 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0454 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4828 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4828 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0381 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0381 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0381 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0381 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4828 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4828 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4828 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4828 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5245 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5245 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5521 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5521 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4812 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4812 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6178 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6178 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1465 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1465 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6753 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6753 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6753 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6753 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1465 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1465 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6178 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6178 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9349 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9349 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9349 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9349 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4798 -0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4798 -0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0160 -1.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0160 -1.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5521 -0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5521 -0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5521 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5521 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0160 0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0160 0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4798 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4798 -0.1650 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 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NS0009 | + | ID FL4DA9NS0009 |
| − | KNApSAcK_ID C00008734 | + | KNApSAcK_ID C00008734 |
| − | NAME Pinobanksin 3-benzoate | + | NAME Pinobanksin 3-benzoate |
| − | CAS_RN 129693-91-0 | + | CAS_RN 129693-91-0 |
| − | FORMULA C22H16O6 | + | FORMULA C22H16O6 |
| − | EXACTMASS 376.094688244 | + | EXACTMASS 376.094688244 |
| − | AVERAGEMASS 376.35884000000004 | + | AVERAGEMASS 376.35884000000004 |
| − | SMILES c(c1)ccc(C(C(OC(=O)c(c4)cccc4)2)Oc(c3)c(c(cc3O)O)C(=O)2)c1 | + | SMILES c(c1)ccc(C(C(OC(=O)c(c4)cccc4)2)Oc(c3)c(c(cc3O)O)C(=O)2)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-2.0454 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5245 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0037 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0037 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5245 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0454 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4828 -0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0381 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0381 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4828 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4828 -0.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5245 -1.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5521 0.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4812 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6178 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1465 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6753 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6753 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1465 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6178 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9349 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9349 -1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4798 -0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0160 -1.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5521 -0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5521 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0160 0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4798 -0.1650 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 23 1 0 0 0 0
S SKP 8
ID FL4DA9NS0009
KNApSAcK_ID C00008734
NAME Pinobanksin 3-benzoate
CAS_RN 129693-91-0
FORMULA C22H16O6
EXACTMASS 376.094688244
AVERAGEMASS 376.35884000000004
SMILES c(c1)ccc(C(C(OC(=O)c(c4)cccc4)2)Oc(c3)c(c(cc3O)O)C(=O)2)c1
M END
