Mol:FL1DDBNS0001
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 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5067 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5067 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5067 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5067 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7922 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7922 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0778 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0778 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0778 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0778 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7922 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7922 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3178 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3178 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3806 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3806 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3178 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3178 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3806 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3806 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0967 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0967 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8111 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8111 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5256 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5256 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5256 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5256 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8111 1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8111 1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0967 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0967 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4865 0.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4865 0.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1807 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1807 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8259 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8259 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7922 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7922 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4215 -1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4215 -1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1711 1.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1711 1.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8259 1.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8259 1.5312 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 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DDBNS0001 | + | ID FL1DDBNS0001 |
| − | KNApSAcK_ID C00014601 | + | KNApSAcK_ID C00014601 |
| − | NAME Flavokawin A;Flavokawine A;2'-Hydroxy-4,4',6'-trimethoxydihydrochalcone | + | NAME Flavokawin A;Flavokawine A;2'-Hydroxy-4,4',6'-trimethoxydihydrochalcone |
| − | CAS_RN 3791-75-1 | + | CAS_RN 3791-75-1 |
| − | FORMULA C18H20O5 | + | FORMULA C18H20O5 |
| − | EXACTMASS 316.13107375 | + | EXACTMASS 316.13107375 |
| − | AVERAGEMASS 316.3484 | + | AVERAGEMASS 316.3484 |
| − | SMILES c(c1C(=O)CCc(c2)ccc(OC)c2)(O)cc(OC)cc1OC | + | SMILES c(c1C(=O)CCc(c2)ccc(OC)c2)(O)cc(OC)cc1OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-2.5067 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5067 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7922 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0778 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0778 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7922 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3178 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3806 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3178 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3806 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0967 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8111 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5256 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5256 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8111 1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0967 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4865 0.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1807 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8259 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7922 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4215 -1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1711 1.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8259 1.5312 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 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
8 10 1 0 0 0 0
10 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
5 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
3 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
S SKP 8
ID FL1DDBNS0001
KNApSAcK_ID C00014601
NAME Flavokawin A;Flavokawine A;2'-Hydroxy-4,4',6'-trimethoxydihydrochalcone
CAS_RN 3791-75-1
FORMULA C18H20O5
EXACTMASS 316.13107375
AVERAGEMASS 316.3484
SMILES c(c1C(=O)CCc(c2)ccc(OC)c2)(O)cc(OC)cc1OC
M END
