Mol:FLNADENS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 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 |
| − | -1.2423 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2423 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 |
| − | -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 |
| − | -1.1184 0.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1184 0.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4039 -0.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4039 -0.0913 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 10 21 1 0 0 0 0 | + | 10 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 0.0084 -1.6535 | + | M SVB 3 25 0.0084 -1.6535 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -1.1184 0.3212 | + | M SVB 2 23 -1.1184 0.3212 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -1.5997 2.066 | + | M SVB 1 21 -1.5997 2.066 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNADENS0001 | + | ID FLNADENS0001 |
| − | KNApSAcK_ID C00010205 | + | KNApSAcK_ID C00010205 |
| − | NAME 3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin | + | NAME 3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin |
| − | CAS_RN 88126-45-8 | + | CAS_RN 88126-45-8 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c12)(OC)cc(OC)cc1OC(=O)C=C(c(c3)cc(O)c(OC)c3)2 | + | SMILES c(c12)(OC)cc(OC)cc1OC(=O)C=C(c(c3)cc(O)c(OC)c3)2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 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
-1.2423 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
-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
-1.1184 0.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4039 -0.0913 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
1 19 1 0 0 0 0
19 20 1 0 0 0 0
10 21 1 0 0 0 0
21 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 0.0084 -1.6535
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -1.1184 0.3212
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -1.5997 2.066
S SKP 8
ID FLNADENS0001
KNApSAcK_ID C00010205
NAME 3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin
CAS_RN 88126-45-8
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c12)(OC)cc(OC)cc1OC(=O)C=C(c(c3)cc(O)c(OC)c3)2
M END
