Mol:FL2FA9GS0009
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 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5883 0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5883 0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1243 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1243 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5851 -0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5851 -0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1316 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1316 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8443 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8443 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8406 0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8406 0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5606 -1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5606 -1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2732 -0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2732 -0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2695 0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2695 0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5533 0.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5533 0.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9233 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9233 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6394 0.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6394 0.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3522 0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3522 0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3491 1.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3491 1.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6330 1.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6330 1.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9201 1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9201 1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5616 -1.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5616 -1.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1316 -1.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1316 -1.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2138 0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2138 0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8690 0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8690 0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4564 -0.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4564 -0.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6581 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6581 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8646 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8646 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2772 0.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2772 0.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0756 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0756 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2325 0.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2325 0.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7124 1.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7124 1.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3522 0.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3522 0.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9051 0.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9051 0.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8296 -0.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8296 -0.6108 0.0000 O 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 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 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9GS0009 | + | ID FL2FA9GS0009 |
| − | KNApSAcK_ID C00014304 | + | KNApSAcK_ID C00014304 |
| − | NAME Pinocembroside;Pinocembrin 7-O-beta-D-glucoside;(2S)-7-O-beta-D-glucopyranosyl-5-hydroxyflavanone | + | NAME Pinocembroside;Pinocembrin 7-O-beta-D-glucoside;(2S)-7-O-beta-D-glucopyranosyl-5-hydroxyflavanone |
| − | CAS_RN 75829-43-5 | + | CAS_RN 75829-43-5 |
| − | FORMULA C21H22O9 | + | FORMULA C21H22O9 |
| − | EXACTMASS 418.126382302 | + | EXACTMASS 418.126382302 |
| − | AVERAGEMASS 418.39398 | + | AVERAGEMASS 418.39398 |
| − | SMILES C(C3)(c(c4)cccc4)Oc(c2C(=O)3)cc(cc(O)2)OC(O1)C(O)C(O)C(O)C1CO | + | SMILES C(C3)(c(c4)cccc4)Oc(c2C(=O)3)cc(cc(O)2)OC(O1)C(O)C(O)C(O)C1CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.5883 0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1243 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5851 -0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1316 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8443 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8406 0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5606 -1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2732 -0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2695 0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5533 0.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9233 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6394 0.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3522 0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3491 1.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6330 1.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9201 1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5616 -1.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1316 -1.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2138 0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8690 0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4564 -0.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6581 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8646 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2772 0.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0756 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2325 0.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7124 1.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3522 0.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9051 0.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8296 -0.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
4 18 1 0 0 0 0
1 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 19 1 0 0 0 0
S SKP 8
ID FL2FA9GS0009
KNApSAcK_ID C00014304
NAME Pinocembroside;Pinocembrin 7-O-beta-D-glucoside;(2S)-7-O-beta-D-glucopyranosyl-5-hydroxyflavanone
CAS_RN 75829-43-5
FORMULA C21H22O9
EXACTMASS 418.126382302
AVERAGEMASS 418.39398
SMILES C(C3)(c(c4)cccc4)Oc(c2C(=O)3)cc(cc(O)2)OC(O1)C(O)C(O)C(O)C1CO
M END
