Mol:FL2FALNP0021
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 |
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| − | -3.1419 -1.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1419 -1.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3647 -2.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3647 -2.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7099 -1.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7099 -1.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.4241 -0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4241 -0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1152 -0.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1152 -0.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8226 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8226 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8515 0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8515 0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1353 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1353 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4149 0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4149 0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9549 -2.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9549 -2.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9441 -0.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9441 -0.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3647 -2.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3647 -2.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2489 -0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2489 -0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2779 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2779 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5792 0.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5792 0.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.4732 2.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4732 2.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0603 2.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0603 2.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1097 2.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1097 2.9890 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 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 14 1 0 0 0 0 | + | 23 14 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
| − | 15 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 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 FL2FALNP0021 | + | ID FL2FALNP0021 |
| − | KNApSAcK_ID C00014246 | + | KNApSAcK_ID C00014246 |
| − | NAME Sanggenol N;(2S)-5,7,2'-Trihydroxy-5'-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone | + | NAME Sanggenol N;(2S)-5,7,2'-Trihydroxy-5'-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone |
| − | CAS_RN 426211-26-9 | + | CAS_RN 426211-26-9 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES CC(C)=CCc(c2)c(c(c(c2C(C3)Oc(c4)c(c(cc4O)O)C3=O)O)1)OC(C=C1)(C)C | + | SMILES CC(C)=CCc(c2)c(c(c(c2C(C3)Oc(c4)c(c(cc4O)O)C3=O)O)1)OC(C=C1)(C)C |
M END | M END | ||
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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
-3.1604 -0.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1419 -1.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3647 -2.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7099 -1.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6957 -0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4214 -0.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9549 -2.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2811 -1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2904 -0.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9742 -0.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4241 -0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1152 -0.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8226 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8515 0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1353 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4149 0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9549 -2.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9441 -0.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3647 -2.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2489 -0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2779 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5792 0.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 0.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6052 0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1152 -1.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1353 1.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4732 1.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4732 2.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0603 2.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1097 2.9890 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 14 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
12 26 1 0 0 0 0
15 27 1 0 0 0 0
27 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 FL2FALNP0021
KNApSAcK_ID C00014246
NAME Sanggenol N;(2S)-5,7,2'-Trihydroxy-5'-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
CAS_RN 426211-26-9
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES CC(C)=CCc(c2)c(c(c(c2C(C3)Oc(c4)c(c(cc4O)O)C3=O)O)1)OC(C=C1)(C)C
M END
