Mol:FLNAFCNS0001
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2425 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2425 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6862 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6862 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1301 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1301 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1301 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1301 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0234 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0234 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0234 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0234 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 1.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 1.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2425 0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2425 0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6862 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6862 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 -0.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 -0.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 -1.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 -1.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9996 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9996 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9996 -0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9996 -0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5997 1.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5997 1.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6862 2.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6862 2.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5521 -1.6660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5521 -1.6660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0084 -1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0084 -1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7229 -2.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7229 -2.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5997 1.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5997 1.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0997 2.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0997 2.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1630 0.1747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1630 0.1747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4485 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4485 -0.2378 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 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 |
| − | 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 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 10 24 1 0 0 0 0 | + | 10 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 -1.163 0.1747 | + | M SVB 3 26 -1.163 0.1747 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -1.5997 1.8937 | + | M SVB 2 24 -1.5997 1.8937 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 0.0084 -1.8258 | + | M SVB 1 22 0.0084 -1.8258 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAFCNS0001 | + | ID FLNAFCNS0001 |
| − | KNApSAcK_ID C00010230 | + | KNApSAcK_ID C00010230 |
| − | NAME 8,3'-Dihydroxy-5,7,4'-trimethoxy-4-phenylcoumarin | + | NAME 8,3'-Dihydroxy-5,7,4'-trimethoxy-4-phenylcoumarin |
| − | CAS_RN 126588-34-9 | + | CAS_RN 126588-34-9 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c1O)(OC)cc(c(C(c(c3)cc(O)c(OC)c3)=2)c1OC(=O)C2)OC | + | SMILES c(c1O)(OC)cc(c(C(c(c3)cc(O)c(OC)c3)=2)c1OC(=O)C2)OC |
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 27 0 0 0 0 0 0 0 0999 V2000
-1.2425 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 1.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2425 0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -0.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -1.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 1.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 2.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5521 -1.6660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0084 -1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7229 -2.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 1.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0997 2.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1630 0.1747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4485 -0.2378 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
2 18 1 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
10 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 -1.163 0.1747
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -1.5997 1.8937
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 0.0084 -1.8258
S SKP 8
ID FLNAFCNS0001
KNApSAcK_ID C00010230
NAME 8,3'-Dihydroxy-5,7,4'-trimethoxy-4-phenylcoumarin
CAS_RN 126588-34-9
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c1O)(OC)cc(c(C(c(c3)cc(O)c(OC)c3)=2)c1OC(=O)C2)OC
M END
