Mol:FL3FACND0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 37 0 0 0 0 0 0 0 0999 V2000 | + | 33 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0777 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0777 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0777 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0777 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7921 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7921 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5066 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5066 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5066 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5066 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7921 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7921 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3632 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3632 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3513 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3513 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3513 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3513 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3632 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3632 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0658 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0658 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7802 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7802 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4947 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4947 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4947 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4947 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7802 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7802 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0658 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0658 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3632 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3632 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7921 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7921 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2092 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2092 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2092 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2092 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4947 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4947 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7802 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7802 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9637 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9637 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7841 0.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7841 0.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1197 -0.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1197 -0.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2092 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2092 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0216 1.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0216 1.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4913 2.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4913 2.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0658 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0658 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4947 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4947 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1966 1.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1966 1.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0216 1.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0216 1.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7841 1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7841 1.9096 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 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 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 15 1 0 0 0 0 | + | 22 15 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 4 1 0 0 0 0 | + | 25 4 1 0 0 0 0 |
| − | 13 26 1 0 0 0 0 | + | 13 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 31 33 2 0 0 0 0 | + | 31 33 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACND0001 | + | ID FL3FACND0001 |
| − | KNApSAcK_ID C00013451 | + | KNApSAcK_ID C00013451 |
| − | NAME Epimedokoreanin A;2-(3,4-Dihydro-3,4,8-trihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-4-one | + | NAME Epimedokoreanin A;2-(3,4-Dihydro-3,4,8-trihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-4-one |
| − | CAS_RN 157998-97-5 | + | CAS_RN 157998-97-5 |
| − | FORMULA C25H24O8 | + | FORMULA C25H24O8 |
| − | EXACTMASS 452.14711774399996 | + | EXACTMASS 452.14711774399996 |
| − | AVERAGEMASS 452.45326 | + | AVERAGEMASS 452.45326 |
| − | SMILES OC(C(C)(C)5)C(c(c4O5)cc(cc4O)C(O3)=CC(=O)c(c23)c(cc(c21)OC(C1)C(C)=C)O)O | + | SMILES OC(C(C)(C)5)C(c(c4O5)cc(cc4O)C(O3)=CC(=O)c(c23)c(cc(c21)OC(C1)C(C)=C)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 37 0 0 0 0 0 0 0 0999 V2000
-1.0777 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0777 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7921 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5066 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5066 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7921 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3632 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3513 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3513 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3632 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0658 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7802 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4947 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4947 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7802 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0658 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3632 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7921 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2092 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2092 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4947 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7802 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9637 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7841 0.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1197 -0.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2092 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0216 1.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4913 2.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0658 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4947 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1966 1.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0216 1.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7841 1.9096 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 2 1 0 0 0 0
9 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
6 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 15 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 4 1 0 0 0 0
13 26 1 0 0 0 0
20 27 1 0 0 0 0
20 28 1 0 0 0 0
22 29 1 0 0 0 0
21 30 1 0 0 0 0
24 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 2 0 0 0 0
S SKP 8
ID FL3FACND0001
KNApSAcK_ID C00013451
NAME Epimedokoreanin A;2-(3,4-Dihydro-3,4,8-trihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
CAS_RN 157998-97-5
FORMULA C25H24O8
EXACTMASS 452.14711774399996
AVERAGEMASS 452.45326
SMILES OC(C(C)(C)5)C(c(c4O5)cc(cc4O)C(O3)=CC(=O)c(c23)c(cc(c21)OC(C1)C(C)=C)O)O
M END
