Mol:FLIF1LNF0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 33 0 0 0 0 0 0 0 0999 V2000 | + | 29 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5332 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5332 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5332 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5332 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9769 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9769 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4206 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4206 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4206 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4206 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9769 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9769 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1357 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1357 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6920 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6920 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6920 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6920 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1357 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1357 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2481 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2481 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2481 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2481 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8429 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8429 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4377 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4377 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4377 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4377 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8429 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8429 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1357 -1.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1357 -1.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0319 -1.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0319 -1.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8429 0.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8429 0.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2483 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2483 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1104 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1104 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7493 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7493 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0105 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0105 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0703 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0703 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7500 2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7500 2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7111 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7111 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0319 1.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0319 1.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4255 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4255 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1400 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1400 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 9 1 0 0 0 0 | + | 20 9 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 1 1 0 0 0 0 | + | 23 1 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 13 28 1 0 0 0 0 | + | 13 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 32 -5.1020 4.0341 | + | M SBV 1 32 -5.1020 4.0341 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIF1LNF0010 | + | ID FLIF1LNF0010 |
| − | KNApSAcK_ID C00009974 | + | KNApSAcK_ID C00009974 |
| − | NAME 3-O-Demethylamorphigenin | + | NAME 3-O-Demethylamorphigenin |
| − | CAS_RN 98619-30-8 | + | CAS_RN 98619-30-8 |
| − | FORMULA C22H20O7 | + | FORMULA C22H20O7 |
| − | EXACTMASS 396.120902994 | + | EXACTMASS 396.120902994 |
| − | AVERAGEMASS 396.39 | + | AVERAGEMASS 396.39 |
| − | SMILES c(c14)cc(O5)c(CC5C(CO)=C)c1OC(C2C(=O)4)COc(c3)c2cc(OC)c(O)3 | + | SMILES c(c14)cc(O5)c(CC5C(CO)=C)c1OC(C2C(=O)4)COc(c3)c2cc(OC)c(O)3 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 33 0 0 0 0 0 0 0 0999 V2000
-1.5332 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5332 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9769 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4206 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4206 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9769 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1357 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6920 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6920 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1357 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2481 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2481 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8429 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4377 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4377 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8429 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1357 -1.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0319 -1.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8429 0.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2483 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1104 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0105 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0703 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7500 2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7111 1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0319 1.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4255 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1400 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
14 18 1 0 0 0 0
16 19 1 0 0 0 0
19 20 1 0 0 0 0
20 9 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 1 1 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
13 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 32
M SMT 1 OCH3
M SBV 1 32 -5.1020 4.0341
S SKP 8
ID FLIF1LNF0010
KNApSAcK_ID C00009974
NAME 3-O-Demethylamorphigenin
CAS_RN 98619-30-8
FORMULA C22H20O7
EXACTMASS 396.120902994
AVERAGEMASS 396.39
SMILES c(c14)cc(O5)c(CC5C(CO)=C)c1OC(C2C(=O)4)COc(c3)c2cc(OC)c(O)3
M END
