Mol:FL2FAANP0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 34 0 0 0 0 0 0 0 0999 V2000 | + | 30 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5436 0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5436 0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5250 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5250 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7479 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7479 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0930 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0930 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0789 0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0789 0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8045 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8045 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3381 -1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3381 -1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3357 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3357 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3265 0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3265 0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3574 0.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3574 0.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0409 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0409 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7343 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7343 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4544 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4544 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4478 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4478 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7445 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7445 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0265 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0265 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3381 -1.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3381 -1.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7479 -1.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7479 -1.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1712 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1712 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8815 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8815 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8815 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8815 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1712 1.7937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1712 1.7937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5096 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5096 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5293 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5293 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2490 0.4948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2490 0.4948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9359 0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9359 0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9173 -0.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9173 -0.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2119 -1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2119 -1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3701 0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3701 0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5293 -0.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5293 -0.2658 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 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 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 14 1 0 0 0 0 | + | 22 14 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 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 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 2 1 0 0 0 0 | + | 28 2 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANP0013 | + | ID FL2FAANP0013 |
| − | KNApSAcK_ID C00014237 | + | KNApSAcK_ID C00014237 |
| − | NAME Paratocarpin J;5-Hydroxy-bis(6'',6''-dimethyldihydropyrano[2'',3'':7,6][2'',3'':4',3'])flavanone | + | NAME Paratocarpin J;5-Hydroxy-bis(6'',6''-dimethyldihydropyrano[2'',3'':7,6][2'',3'':4',3'])flavanone |
| − | CAS_RN 170900-12-6 | + | CAS_RN 170900-12-6 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES c(C5)(c(OC(C5)(C)C)4)cc(cc4)C(C3)Oc(c2C(=O)3)cc(c(c2O)1)OC(CC1)(C)C | + | SMILES c(C5)(c(OC(C5)(C)C)4)cc(cc4)C(C3)Oc(c2C(=O)3)cc(c(c2O)1)OC(CC1)(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/
30 34 0 0 0 0 0 0 0 0999 V2000
-2.5436 0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5250 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7479 -1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0930 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0789 0.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8045 0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3381 -1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3357 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3265 0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3574 0.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0409 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7343 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4544 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4478 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7445 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0265 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3381 -1.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7479 -1.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1712 0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8815 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8815 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1712 1.7937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5096 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5293 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2490 0.4948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9359 0.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9173 -0.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2119 -1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3701 0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5293 -0.2658 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
3 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 14 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 2 1 0 0 0 0
26 29 1 0 0 0 0
26 30 1 0 0 0 0
S SKP 8
ID FL2FAANP0013
KNApSAcK_ID C00014237
NAME Paratocarpin J;5-Hydroxy-bis(6'',6''-dimethyldihydropyrano[2'',3'':7,6][2'',3'':4',3'])flavanone
CAS_RN 170900-12-6
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES c(C5)(c(OC(C5)(C)C)4)cc(cc4)C(C3)Oc(c2C(=O)3)cc(c(c2O)1)OC(CC1)(C)C
M END
