Mol:FL2FACNI0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.4832 -0.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4832 -0.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4647 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4647 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6875 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6875 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0327 -0.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0327 -0.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0185 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0185 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7442 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7442 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2778 -1.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2778 -1.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6040 -0.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6040 -0.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6132 -0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6132 -0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2970 0.3459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2970 0.3459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1013 0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1013 0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7924 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7924 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5037 0.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5037 0.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5242 1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5242 1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8125 1.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8125 1.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0921 1.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0921 1.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2778 -2.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2778 -2.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1977 0.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1977 0.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6875 -2.1047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6875 -2.1047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2387 1.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2387 1.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2182 -0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2182 -0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5069 -1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5069 -1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5069 -2.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5069 -2.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7924 -2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7924 -2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2213 -2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2213 -2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7924 -0.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7924 -0.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8125 2.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8125 2.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8420 0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8420 0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5603 -0.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5603 -0.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5603 -0.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5603 -0.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1977 0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1977 0.2882 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 |
| − | 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | 15 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACNI0013 | + | ID FL2FACNI0013 |
| − | KNApSAcK_ID C00014176 | + | KNApSAcK_ID C00014176 |
| − | NAME Abyssinin III;Abyssinoflavanone III;5,7,3',4'-Tetrahydroxy-5',6'-diprenylflavanone | + | NAME Abyssinin III;Abyssinoflavanone III;5,7,3',4'-Tetrahydroxy-5',6'-diprenylflavanone |
| − | CAS_RN 183990-15-0 | + | CAS_RN 183990-15-0 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES c(c3O)c(cc(c32)OC(CC2=O)c(c1)c(c(CC=C(C)C)c(O)c(O)1)CC=C(C)C)O | + | SMILES c(c3O)c(cc(c32)OC(CC2=O)c(c1)c(c(CC=C(C)C)c(O)c(O)1)CC=C(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-3.4832 -0.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4647 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6875 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0327 -0.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0185 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7442 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2778 -1.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6040 -0.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6132 -0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2970 0.3459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1013 0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7924 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5037 0.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5242 1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8125 1.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0921 1.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2778 -2.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1977 0.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6875 -2.1047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2387 1.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2182 -0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5069 -1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5069 -2.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7924 -2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2213 -2.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7924 -0.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8125 2.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8420 0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5603 -0.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5603 -0.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1977 0.2882 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
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
13 21 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
12 26 1 0 0 0 0
26 22 1 0 0 0 0
15 27 1 0 0 0 0
21 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL2FACNI0013
KNApSAcK_ID C00014176
NAME Abyssinin III;Abyssinoflavanone III;5,7,3',4'-Tetrahydroxy-5',6'-diprenylflavanone
CAS_RN 183990-15-0
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES c(c3O)c(cc(c32)OC(CC2=O)c(c1)c(c(CC=C(C)C)c(O)c(O)1)CC=C(C)C)O
M END
