Mol:FLIE1ANP0003
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 |
| − | -1.4697 0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4697 0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4697 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4697 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9134 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9134 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3571 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3571 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3571 0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3571 0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9134 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9134 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1992 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1992 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7555 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7555 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7555 0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7555 0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1992 1.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1992 1.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3116 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3116 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3116 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3116 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9064 -1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9064 -1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5012 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5012 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5012 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5012 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9064 0.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9064 0.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2050 -0.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2050 -0.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0954 -1.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0954 -1.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3116 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3116 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0260 1.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0260 1.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5823 0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5823 0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5823 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5823 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0260 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0260 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5823 1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5823 1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0954 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0954 0.3910 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 7 8 2 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 9 19 2 0 0 0 0 | + | 9 19 2 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 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 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIE1ANP0003 | + | ID FLIE1ANP0003 |
| − | KNApSAcK_ID C00009775 | + | KNApSAcK_ID C00009775 |
| − | NAME Isopsoralidin;1,2-Dideoxycorylidin | + | NAME Isopsoralidin;1,2-Dideoxycorylidin |
| − | CAS_RN 3564-61-2 | + | CAS_RN 3564-61-2 |
| − | FORMULA C20H16O5 | + | FORMULA C20H16O5 |
| − | EXACTMASS 336.099773622 | + | EXACTMASS 336.099773622 |
| − | AVERAGEMASS 336.33804000000003 | + | AVERAGEMASS 336.33804000000003 |
| − | SMILES c(O)(c1)ccc(c52)c(oc(c(c(OC5=O)3)cc(C4)c(OC(C4)(C)C)c3)2)1 | + | SMILES c(O)(c1)ccc(c52)c(oc(c(c(OC5=O)3)cc(C4)c(OC(C4)(C)C)c3)2)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
-1.4697 0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4697 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9134 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9134 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1992 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7555 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7555 0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1992 1.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3116 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3116 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9064 -1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5012 -0.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5012 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9064 0.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2050 -0.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0954 -1.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3116 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0260 1.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5823 0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5823 0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0260 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5823 1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0954 0.3910 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
9 19 2 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 2 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
S SKP 8
ID FLIE1ANP0003
KNApSAcK_ID C00009775
NAME Isopsoralidin;1,2-Dideoxycorylidin
CAS_RN 3564-61-2
FORMULA C20H16O5
EXACTMASS 336.099773622
AVERAGEMASS 336.33804000000003
SMILES c(O)(c1)ccc(c52)c(oc(c(c(OC5=O)3)cc(C4)c(OC(C4)(C)C)c3)2)1
M END
