Mol:FL3FAADS0039
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | 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 21 1 0 0 0 0 | + | 26 21 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 |
| − | 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 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 35 9 1 0 0 0 0 | + | 35 9 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAADS0039 | + | ID FL3FAADS0039 |
| − | KNApSAcK_ID C00014045 | + | KNApSAcK_ID C00014045 |
| − | NAME Rhamnellaflavoside A;6-C-beta-D-Oliopyranosylapigenin 4'-O-beta-D-glucopyranoside | + | NAME Rhamnellaflavoside A;6-C-beta-D-Oliopyranosylapigenin 4'-O-beta-D-glucopyranoside |
| − | CAS_RN 681287-08-1 | + | CAS_RN 681287-08-1 |
| − | FORMULA C27H30O13 | + | FORMULA C27H30O13 |
| − | EXACTMASS 562.168641046 | + | EXACTMASS 562.168641046 |
| − | AVERAGEMASS 562.5193 | + | AVERAGEMASS 562.5193 |
| − | SMILES OC(C5CO)C(O)C(C(O5)Oc(c1)ccc(C(O4)=CC(=O)c(c42)c(c(C(C3)OC(C(C(O)3)O)C)c(O)c2)O)c1)O | + | SMILES OC(C5CO)C(O)C(C(O5)Oc(c1)ccc(C(O4)=CC(=O)c(c42)c(c(C(C3)OC(C(C(O)3)O)C)c(O)c2)O)c1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
0.7539 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0394 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6751 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6751 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0394 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7539 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3895 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1040 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1040 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3895 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7497 0.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3895 -1.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0394 -1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5356 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2501 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9646 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9646 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2501 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5356 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5798 1.7756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6370 -0.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4088 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3310 0.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6827 0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9108 0.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9885 -0.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3851 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0344 -0.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0361 -1.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0809 -1.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9349 -0.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
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10 12 1 0 0 0 0
5 13 2 0 0 0 0
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17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 20 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
35 9 1 0 0 0 0
33 38 1 0 0 0 0
32 39 1 0 0 0 0
37 40 1 0 0 0 0
S SKP 8
ID FL3FAADS0039
KNApSAcK_ID C00014045
NAME Rhamnellaflavoside A;6-C-beta-D-Oliopyranosylapigenin 4'-O-beta-D-glucopyranoside
CAS_RN 681287-08-1
FORMULA C27H30O13
EXACTMASS 562.168641046
AVERAGEMASS 562.5193
SMILES OC(C5CO)C(O)C(C(O5)Oc(c1)ccc(C(O4)=CC(=O)c(c42)c(c(C(C3)OC(C(C(O)3)O)C)c(O)c2)O)c1)O
M END
