Mol:FL3FADCS0023
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
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| − | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
| − | 37 30 1 0 0 0 0 | + | 37 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FADCS0023 | + | ID FL3FADCS0023 |
| − | KNApSAcK_ID C00014068 | + | KNApSAcK_ID C00014068 |
| − | NAME Scoparin 6''-O-glucoside | + | NAME Scoparin 6''-O-glucoside |
| − | CAS_RN 605652-87-7 | + | CAS_RN 605652-87-7 |
| − | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
| − | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
| − | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
| − | SMILES OC(C1c(c34)c(cc(c3C(=O)C=C(c(c5)ccc(c5OC)O)O4)O)O)C(C(O)C(COC(O2)C(O)C(C(O)C(CO)2)O)O1)O | + | SMILES OC(C1c(c34)c(cc(c3C(=O)C=C(c(c5)ccc(c5OC)O)O4)O)O)C(C(O)C(COC(O2)C(O)C(C(O)C(CO)2)O)O1)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/
44 48 0 0 0 0 0 0 0 0999 V2000
-0.0085 -0.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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37 30 1 0 0 0 0
S SKP 8
ID FL3FADCS0023
KNApSAcK_ID C00014068
NAME Scoparin 6''-O-glucoside
CAS_RN 605652-87-7
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES OC(C1c(c34)c(cc(c3C(=O)C=C(c(c5)ccc(c5OC)O)O4)O)O)C(C(O)C(COC(O2)C(O)C(C(O)C(CO)2)O)O1)O
M END
