Mol:FL5FPTNS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 29 0 0 0 0 0 0 0 0999 V2000 | + | 25 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2827 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2827 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2827 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2827 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7264 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7264 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1701 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1701 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1701 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1701 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7264 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7264 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6138 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6138 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0575 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0575 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0575 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0575 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6138 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6138 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6138 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6138 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4986 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4986 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0655 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0655 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6325 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6325 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6325 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6325 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0655 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0655 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4986 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4986 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5034 -0.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5034 -0.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0655 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0655 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2552 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2552 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6400 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6400 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2552 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2552 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7264 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7264 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6400 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6400 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1401 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1401 1.6360 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 13 1 0 0 0 0 | + | 19 13 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 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 15 1 0 0 0 0 | + | 22 15 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -2.64 0.77 | + | M SVB 1 28 -2.64 0.77 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FPTNS0007 | + | ID FL5FPTNS0007 |
| − | KNApSAcK_ID C00005113 | + | KNApSAcK_ID C00005113 |
| − | NAME Pulcherrimin;7-Hydroxy-9-methoxy-1,3-dioxolo[7,8][2]benzopyrano[4,3-b][1]benzopyran-6(4H)-one | + | NAME Pulcherrimin;7-Hydroxy-9-methoxy-1,3-dioxolo[7,8][2]benzopyrano[4,3-b][1]benzopyran-6(4H)-one |
| − | CAS_RN 89945-86-8 | + | CAS_RN 89945-86-8 |
| − | FORMULA C18H12O7 | + | FORMULA C18H12O7 |
| − | EXACTMASS 340.058302738 | + | EXACTMASS 340.058302738 |
| − | AVERAGEMASS 340.28368 | + | AVERAGEMASS 340.28368 |
| − | SMILES c(c51)(O)cc(OC)cc(OC(=C(C5=O)4)c(c3CO4)ccc(c32)OCO2)1 | + | SMILES c(c51)(O)cc(OC)cc(OC(=C(C5=O)4)c(c3CO4)ccc(c32)OCO2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 29 0 0 0 0 0 0 0 0999 V2000
-2.2827 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2827 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0575 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0575 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4986 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0655 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0655 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4986 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5034 -0.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0655 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2552 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6400 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2552 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6400 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1401 1.6360 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 12 1 0 0 0 0
8 18 1 0 0 0 0
18 19 1 0 0 0 0
19 13 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 15 1 0 0 0 0
3 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -2.64 0.77
S SKP 8
ID FL5FPTNS0007
KNApSAcK_ID C00005113
NAME Pulcherrimin;7-Hydroxy-9-methoxy-1,3-dioxolo[7,8][2]benzopyrano[4,3-b][1]benzopyran-6(4H)-one
CAS_RN 89945-86-8
FORMULA C18H12O7
EXACTMASS 340.058302738
AVERAGEMASS 340.28368
SMILES c(c51)(O)cc(OC)cc(OC(=C(C5=O)4)c(c3CO4)ccc(c32)OCO2)1
M END
