Mol:FLNACENS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2425 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2425 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6862 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6862 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1301 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1301 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1301 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1301 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0234 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0234 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0234 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0234 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2425 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2425 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6862 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6862 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9996 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9996 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9996 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9996 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5997 1.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5997 1.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5521 -1.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5521 -1.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6966 -0.1579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6966 -0.1579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5997 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5997 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0996 2.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0996 2.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0084 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0084 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7229 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7229 -2.0660 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 10 19 1 0 0 0 0 | + | 10 19 1 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 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 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 0.0084 -1.6535 | + | M SVB 2 24 0.0084 -1.6535 |
| − | 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 -1.5997 2.066 | + | M SVB 1 22 -1.5997 2.066 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNACENS0001 | + | ID FLNACENS0001 |
| − | KNApSAcK_ID C00010245 | + | KNApSAcK_ID C00010245 |
| − | NAME 5,3'-Dihydroxy-7,4'-dimethoxy-4-phenylcoumarin | + | NAME 5,3'-Dihydroxy-7,4'-dimethoxy-4-phenylcoumarin |
| − | CAS_RN 117783-75-2 | + | CAS_RN 117783-75-2 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES COc(c3)cc(O2)c(c(O)3)C(=CC(=O)2)c(c1)cc(O)c(OC)c1 | + | SMILES COc(c3)cc(O2)c(c(O)3)C(=CC(=O)2)c(c1)cc(O)c(OC)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/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.2425 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 1.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 0.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 1.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 1.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2425 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -0.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 1.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5521 -1.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6966 -0.1579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 2.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0996 2.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0084 -1.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7229 -2.0660 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
15 18 1 0 0 0 0
10 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
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 0.0084 -1.6535
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 -1.5997 2.066
S SKP 8
ID FLNACENS0001
KNApSAcK_ID C00010245
NAME 5,3'-Dihydroxy-7,4'-dimethoxy-4-phenylcoumarin
CAS_RN 117783-75-2
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c3)cc(O2)c(c(O)3)C(=CC(=O)2)c(c1)cc(O)c(OC)c1
M END
