Mol:FL5F29GF0001
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 |
| − | 0.1512 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1512 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8290 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8290 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8290 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8290 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1512 0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1512 0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5266 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5266 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5266 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5266 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5068 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5068 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1846 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1846 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1846 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1846 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5068 0.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5068 0.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8386 0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8386 0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5193 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5193 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2000 0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2000 0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2000 1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2000 1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5193 1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5193 1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8386 1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8386 1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5068 -1.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5068 -1.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0115 1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0115 1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7899 1.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7899 1.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1082 0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1082 0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1298 -0.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1298 -0.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8022 -1.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8022 -1.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5669 -1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5669 -1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6814 -0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6814 -0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2689 -1.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2689 -1.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4708 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4708 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6776 -1.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6776 -1.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0900 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0900 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8882 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8882 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0483 -0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0483 -0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4888 0.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4888 0.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2000 -0.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2000 -0.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7616 -1.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7616 -1.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7567 -1.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7567 -1.6096 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 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F29GF0001 | + | ID FL5F29GF0001 |
| − | KNApSAcK_ID C00011169 | + | KNApSAcK_ID C00011169 |
| − | NAME Pongamoside C | + | NAME Pongamoside C |
| − | CAS_RN 713524-65-3 | + | CAS_RN 713524-65-3 |
| − | FORMULA C24H22O10 | + | FORMULA C24H22O10 |
| − | EXACTMASS 470.121296924 | + | EXACTMASS 470.121296924 |
| − | AVERAGEMASS 470.42548 | + | AVERAGEMASS 470.42548 |
| − | SMILES c(o5)(c(cc5)1)c(OC(C4O)OC(CO)C(O)C4O)cc(C(=O)3)c1OC(=C(OC)3)c(c2)cccc2 | + | SMILES c(o5)(c(cc5)1)c(OC(C4O)OC(CO)C(O)C4O)cc(C(=O)3)c1OC(=C(OC)3)c(c2)cccc2 |
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
0.1512 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8290 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8290 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1512 0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5266 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5266 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5068 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1846 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1846 0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5068 0.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8386 0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5193 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2000 0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2000 1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5193 1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8386 1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5068 -1.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0115 1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7899 1.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1082 0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1298 -0.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8022 -1.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5669 -1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6814 -0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2689 -1.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4708 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6776 -1.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0900 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8882 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0483 -0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4888 0.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2000 -0.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7616 -1.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7567 -1.6096 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
6 21 1 0 0 0 0
8 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
21 27 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
S SKP 8
ID FL5F29GF0001
KNApSAcK_ID C00011169
NAME Pongamoside C
CAS_RN 713524-65-3
FORMULA C24H22O10
EXACTMASS 470.121296924
AVERAGEMASS 470.42548
SMILES c(o5)(c(cc5)1)c(OC(C4O)OC(CO)C(O)C4O)cc(C(=O)3)c1OC(=C(OC)3)c(c2)cccc2
M END
