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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > (+)-(8s,8'r)-9'-acetoxy-4,4'-dihydroxy-3,3',5'-trimethoxylignan
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > (+)-(8s,8'r)-9'-acetoxy-4,4'-dihydroxy-3,3',5'-trimethoxylignan
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > (+)-(8s,8'r)-9'-acetoxy-4,4'-dihydroxy-3,3',5'-trimethoxylignan
organooxygen compound > ester > carboxylic ester > acetate ester > (+)-(8s,8'r)-9'-acetoxy-4,4'-dihydroxy-3,3',5'-trimethoxylignan
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > (+)-(8s,8'r)-9'-acetoxy-4,4'-dihydroxy-3,3',5'-trimethoxylignan
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > (+)-(8s,8'r)-9'-acetoxy-4,4'-dihydroxy-3,3',5'-trimethoxylignan
... > organooxygen compound > ether > aromatic ether > methoxybenzenes > dimethoxybenzene > (+)-(8s,8'r)-9'-acetoxy-4,4'-dihydroxy-3,3',5'-trimethoxylignan

Preferred term

(+)-(8s,8'r)-9'-acetoxy-4,4'-dihydroxy-3,3',5'-trimethoxylignan  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C23H30O7

inchi

  • InChI=1S/C23H30O7/c1-14(8-16-6-7-19(25)20(10-16)27-3)18(13-30-15(2)24)9-17-11-21(28-4)23(26)22(12-17)29-5/h6-7,10-12,14,18,25-26H,8-9,13H2,1-5H3/t14-,18-/m0/s1

inchikey

  • UBVTXRWIGGYYPO-KSSFIOAISA-N

mass

  • 418.48010

monoisotopicmass

  • 418.19915

smiles

  • COc1cc(C[C@H](C)[C@H](COC(C)=O)Cc2cc(OC)c(O)c(OC)c2)ccc1O

subset

  • 3_STAR

synonym EXACT

  • (2R,3S)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(4-hydroxy-3-methoxyphenyl)-3-methylbutyl acetate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68164

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