Mol:FL2FACNP0008
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8356 -0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8356 -0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8171 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8171 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0399 -1.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0399 -1.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3851 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3851 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3709 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3709 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0966 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0966 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3698 -1.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3698 -1.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0436 -1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0436 -1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0344 -0.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0344 -0.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3506 0.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3506 0.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7489 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7489 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4400 -0.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4400 -0.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1474 0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1474 0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1763 0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1763 0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4601 1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4601 1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7397 0.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7397 0.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3698 -2.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3698 -2.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0399 -2.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0399 -2.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7486 1.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7486 1.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7886 -0.2364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7886 -0.2364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5411 0.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5411 0.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2279 -0.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2279 -0.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2093 -1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2093 -1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5039 -1.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5039 -1.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0966 0.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0966 0.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7398 1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7398 1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7398 1.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7398 1.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1238 2.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1238 2.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4224 2.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4224 2.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7613 0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7613 0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7886 -0.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7886 -0.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 |
| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 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 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 2 1 0 0 0 0 | + | 24 2 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACNP0008 | + | ID FL2FACNP0008 |
| − | KNApSAcK_ID C00014248 | + | KNApSAcK_ID C00014248 |
| − | NAME Dorsmanin I;(2S)-5,3',4'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone | + | NAME Dorsmanin I;(2S)-5,3',4'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone |
| − | CAS_RN 329703-46-0 | + | CAS_RN 329703-46-0 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c4)(O)c(O)cc(c4)C(O3)CC(c(c32)c(O)c(c1c2CC=C(C)C)C=CC(O1)(C)C)=O | + | SMILES c(c4)(O)c(O)cc(c4)C(O3)CC(c(c32)c(O)c(c1c2CC=C(C)C)C=CC(O1)(C)C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.8356 -0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8171 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0399 -1.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3851 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3709 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0966 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3698 -1.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0436 -1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0344 -0.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3506 0.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7489 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4400 -0.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1474 0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1763 0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4601 1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7397 0.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3698 -2.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0399 -2.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7486 1.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7886 -0.2364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5411 0.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2279 -0.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2093 -1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5039 -1.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0966 0.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7398 1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7398 1.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1238 2.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4224 2.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7613 0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7886 -0.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
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
3 18 1 0 0 0 0
14 19 1 0 0 0 0
13 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 2 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
22 30 1 0 0 0 0
22 31 1 0 0 0 0
S SKP 8
ID FL2FACNP0008
KNApSAcK_ID C00014248
NAME Dorsmanin I;(2S)-5,3',4'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
CAS_RN 329703-46-0
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c4)(O)c(O)cc(c4)C(O3)CC(c(c32)c(O)c(c1c2CC=C(C)C)C=CC(O1)(C)C)=O
M END
