Mol:FL1C3CGS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 49 52 0 0 0 0 0 0 0 0999 V2000 | + | 49 52 0 0 0 0 0 0 0 0999 V2000 |
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| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 47 49 1 0 0 0 0 | + | 47 49 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3CGS0008 | + | ID FL1C3CGS0008 |
| − | KNApSAcK_ID C00007899 | + | KNApSAcK_ID C00007899 |
| − | NAME Okanin 4'-(2'',4''-diacetyl-6''-p-coumarylglucoside) | + | NAME Okanin 4'-(2'',4''-diacetyl-6''-p-coumarylglucoside) |
| − | CAS_RN 118853-82-0 | + | CAS_RN 118853-82-0 |
| − | FORMULA C34H32O15 | + | FORMULA C34H32O15 |
| − | EXACTMASS 680.174120354 | + | EXACTMASS 680.174120354 |
| − | AVERAGEMASS 680.60888 | + | AVERAGEMASS 680.60888 |
| − | SMILES C(C(OCC(O2)C(C(C(C(Oc(c4)c(c(c(c4)C(=O)C=Cc(c3)cc(c(O)c3)O)O)O)2)OC(C)=O)O)OC(C)=O)=O)=Cc(c1)ccc(c1)O | + | SMILES C(C(OCC(O2)C(C(C(C(Oc(c4)c(c(c(c4)C(=O)C=Cc(c3)cc(c(O)c3)O)O)O)2)OC(C)=O)O)OC(C)=O)=O)=Cc(c1)ccc(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/
49 52 0 0 0 0 0 0 0 0999 V2000
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0.2061 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7601 -1.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7601 -0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 -0.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8663 -1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4176 -1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9678 -1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5062 -1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0445 -1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0445 -0.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5062 -0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9678 -0.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL1C3CGS0008
KNApSAcK_ID C00007899
NAME Okanin 4'-(2'',4''-diacetyl-6''-p-coumarylglucoside)
CAS_RN 118853-82-0
FORMULA C34H32O15
EXACTMASS 680.174120354
AVERAGEMASS 680.60888
SMILES C(C(OCC(O2)C(C(C(C(Oc(c4)c(c(c(c4)C(=O)C=Cc(c3)cc(c(O)c3)O)O)O)2)OC(C)=O)O)OC(C)=O)=O)=Cc(c1)ccc(c1)O
M END
