Mol:FL3FAAGS0046
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 53 58 0 0 0 0 0 0 0 0999 V2000 | + | 53 58 0 0 0 0 0 0 0 0999 V2000 |
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| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
| − | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
| − | 52 47 1 0 0 0 0 | + | 52 47 1 0 0 0 0 |
| − | 50 53 1 0 0 0 0 | + | 50 53 1 0 0 0 0 |
| − | 43 28 1 0 0 0 0 | + | 43 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAAGS0046 | + | ID FL3FAAGS0046 |
| − | KNApSAcK_ID C00004186 | + | KNApSAcK_ID C00004186 |
| − | NAME Apigenin 7-(3'',6''-di-p-coumarylglucoside) | + | NAME Apigenin 7-(3'',6''-di-p-coumarylglucoside) |
| − | CAS_RN 83529-71-9 | + | CAS_RN 83529-71-9 |
| − | FORMULA C39H32O14 | + | FORMULA C39H32O14 |
| − | EXACTMASS 724.179205732 | + | EXACTMASS 724.179205732 |
| − | AVERAGEMASS 724.6629800000001 | + | AVERAGEMASS 724.6629800000001 |
| − | SMILES O=C(C=Cc(c6)ccc(O)c6)O[C@H]([C@H](O)2)[C@@H](O)C(O[C@H]2Oc(c3)cc(c(C5=O)c(OC(=C5)c(c4)ccc(O)c4)3)O)COC(C=Cc(c1)ccc(c1)O)=O | + | SMILES O=C(C=Cc(c6)ccc(O)c6)O[C@H]([C@H](O)2)[C@@H](O)C(O[C@H]2Oc(c3)cc(c(C5=O)c(OC(=C5)c(c4)ccc(O)c4)3)O)COC(C=Cc(c1)ccc(c1)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
0.7126 0.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7126 -0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2088 -0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7051 -0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7051 0.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2088 0.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2013 -0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6975 -0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6975 0.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2013 0.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3902 -0.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1935 0.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6993 0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2050 0.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2050 1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6993 1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1935 1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2166 0.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7106 1.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1313 -0.8647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0670 0.4378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
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-1.1209 0.1431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5086 0.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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-2.4619 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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52 47 1 0 0 0 0
50 53 1 0 0 0 0
43 28 1 0 0 0 0
S SKP 8
ID FL3FAAGS0046
KNApSAcK_ID C00004186
NAME Apigenin 7-(3'',6''-di-p-coumarylglucoside)
CAS_RN 83529-71-9
FORMULA C39H32O14
EXACTMASS 724.179205732
AVERAGEMASS 724.6629800000001
SMILES O=C(C=Cc(c6)ccc(O)c6)O[C@H]([C@H](O)2)[C@@H](O)C(O[C@H]2Oc(c3)cc(c(C5=O)c(OC(=C5)c(c4)ccc(O)c4)3)O)COC(C=Cc(c1)ccc(c1)O)=O
M END
