Mol:FL2F1ANP0011
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.4876 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4876 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4690 -0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4690 -0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6919 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6919 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0370 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0370 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0228 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0228 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7485 0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7485 0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2821 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2821 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3917 -0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3917 -0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3825 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3825 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3014 0.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3014 0.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0970 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0970 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7880 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7880 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4994 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4994 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5199 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5199 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8081 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8081 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0877 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0877 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2821 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2821 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2034 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2034 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9280 0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9280 0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9484 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9484 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2444 1.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2444 1.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5144 1.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5144 1.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5074 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5074 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1930 0.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1930 0.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8798 0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8798 0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8613 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8613 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1558 -1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1558 -1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3583 0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3583 0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5144 -0.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5144 -0.0911 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 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 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 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 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 2 1 0 0 0 0 | + | 27 2 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANP0011 | + | ID FL2F1ANP0011 |
| − | KNApSAcK_ID C00014229 | + | KNApSAcK_ID C00014229 |
| − | NAME Dorsmanin B;Bis(6'',6''-dimethyldihydropyrano[2'',3'':7,6][2'',3'':4',3'])flavanone | + | NAME Dorsmanin B;Bis(6'',6''-dimethyldihydropyrano[2'',3'':7,6][2'',3'':4',3'])flavanone |
| − | CAS_RN 211307-30-1 | + | CAS_RN 211307-30-1 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES C(C5)c(c(OC5(C)C)4)cc(cc4)C(O3)CC(=O)c(c23)cc(c(c2)1)CCC(C)(C)O1 | + | SMILES C(C5)c(c(OC5(C)C)4)cc(cc4)C(O3)CC(=O)c(c23)cc(c(c2)1)CCC(C)(C)O1 |
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
-2.4876 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4690 -0.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6919 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0370 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0228 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7485 0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2821 -1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3917 -0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3825 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3014 0.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0970 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4994 0.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5199 1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8081 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0877 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2821 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2034 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9280 0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9484 1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2444 1.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5144 1.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5074 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1930 0.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8798 0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8613 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1558 -1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3583 0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5144 -0.0911 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 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
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 14 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 2 1 0 0 0 0
25 28 1 0 0 0 0
25 29 1 0 0 0 0
S SKP 8
ID FL2F1ANP0011
KNApSAcK_ID C00014229
NAME Dorsmanin B;Bis(6'',6''-dimethyldihydropyrano[2'',3'':7,6][2'',3'':4',3'])flavanone
CAS_RN 211307-30-1
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES C(C5)c(c(OC5(C)C)4)cc(cc4)C(O3)CC(=O)c(c23)cc(c(c2)1)CCC(C)(C)O1
M END
