Mol:FL3F29GF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 38 0 0 0 0 0 0 0 0999 V2000 | + | 34 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0095 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0095 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3316 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3316 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3316 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3316 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0095 -0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0095 -0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6873 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6873 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6873 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6873 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3462 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3462 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0240 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0240 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0240 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0240 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3462 -0.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3462 -0.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6779 -0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6779 -0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3586 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3586 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0393 -0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0393 -0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0393 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0393 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3586 0.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3586 0.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6779 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6779 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3462 -2.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3462 -2.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1722 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1722 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9506 0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9506 0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2689 -0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2689 -0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3586 1.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3586 1.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2905 -2.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2905 -2.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0393 -2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0393 -2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1396 2.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1396 2.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2729 1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2729 1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0710 1.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0710 1.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8642 1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8642 1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4518 2.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4518 2.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6536 2.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6536 2.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5152 2.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5152 2.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1162 2.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1162 2.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6143 1.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6143 1.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1547 1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1547 1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8060 1.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8060 1.2986 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 |
| − | 2 3 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 3 1 0 0 0 0 | + | 10 3 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 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 5 1 0 0 0 0 | + | 20 5 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F29GF0001 | + | ID FL3F29GF0001 |
| − | KNApSAcK_ID C00011168 | + | KNApSAcK_ID C00011168 |
| − | NAME Pongamoside B | + | NAME Pongamoside B |
| − | CAS_RN 713524-64-2 | + | CAS_RN 713524-64-2 |
| − | FORMULA C24H22O10 | + | FORMULA C24H22O10 |
| − | EXACTMASS 470.121296924 | + | EXACTMASS 470.121296924 |
| − | AVERAGEMASS 470.42548 | + | AVERAGEMASS 470.42548 |
| − | SMILES C(O)(C1Oc(c2)cc(C(=C3)Oc(c54)c(cc(OC)c(occ5)4)C3=O)cc2)C(O)C(O)C(O1)CO | + | SMILES C(O)(C1Oc(c2)cc(C(=C3)Oc(c54)c(cc(OC)c(occ5)4)C3=O)cc2)C(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 38 0 0 0 0 0 0 0 0999 V2000
-1.0095 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3316 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3316 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0095 -0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6873 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6873 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3462 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0240 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0240 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3462 -0.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6779 -0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3586 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0393 -0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0393 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3586 0.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6779 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3462 -2.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1722 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9506 0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2689 -0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3586 1.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2905 -2.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0393 -2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1396 2.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2729 1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0710 1.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8642 1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4518 2.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6536 2.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5152 2.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1162 2.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6143 1.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1547 1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8060 1.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 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 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 3 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
4 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 5 1 0 0 0 0
15 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
21 27 1 0 0 0 0
S SKP 8
ID FL3F29GF0001
KNApSAcK_ID C00011168
NAME Pongamoside B
CAS_RN 713524-64-2
FORMULA C24H22O10
EXACTMASS 470.121296924
AVERAGEMASS 470.42548
SMILES C(O)(C1Oc(c2)cc(C(=C3)Oc(c54)c(cc(OC)c(occ5)4)C3=O)cc2)C(O)C(O)C(O1)CO
M END
