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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > rel-(-)-(7s,7'r,8s,8'r)-4,4'-dihydroxy-3,3',5'-trimethoxy-7,7'-epoxylignan
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > rel-(-)-(7s,7'r,8s,8'r)-4,4'-dihydroxy-3,3',5'-trimethoxy-7,7'-epoxylignan
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > rel-(-)-(7s,7'r,8s,8'r)-4,4'-dihydroxy-3,3',5'-trimethoxy-7,7'-epoxylignan
... > organooxygen compound > ether > aromatic ether > methoxybenzenes > dimethoxybenzene > rel-(-)-(7s,7'r,8s,8'r)-4,4'-dihydroxy-3,3',5'-trimethoxy-7,7'-epoxylignan
organooxygen compound > oxacycle > oxolanes > rel-(-)-(7s,7'r,8s,8'r)-4,4'-dihydroxy-3,3',5'-trimethoxy-7,7'-epoxylignan
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > oxolanes > rel-(-)-(7s,7'r,8s,8'r)-4,4'-dihydroxy-3,3',5'-trimethoxy-7,7'-epoxylignan
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > oxolanes > rel-(-)-(7s,7'r,8s,8'r)-4,4'-dihydroxy-3,3',5'-trimethoxy-7,7'-epoxylignan
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > rel-(-)-(7s,7'r,8s,8'r)-4,4'-dihydroxy-3,3',5'-trimethoxy-7,7'-epoxylignan
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > rel-(-)-(7s,7'r,8s,8'r)-4,4'-dihydroxy-3,3',5'-trimethoxy-7,7'-epoxylignan

Preferred term

rel-(-)-(7s,7'r,8s,8'r)-4,4'-dihydroxy-3,3',5'-trimethoxy-7,7'-epoxylignan  

Type

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

charge

  • 0

formula

  • C21H26O6

inchi

  • InChI=1S/C21H26O6/c1-11-12(2)21(14-9-17(25-4)19(23)18(10-14)26-5)27-20(11)13-6-7-15(22)16(8-13)24-3/h6-12,20-23H,1-5H3/t11-,12+,20-,21+/m0/s1

inchikey

  • KBIHHHDCLJQNHG-YGGHMXSPSA-N

mass

  • 374.42750

monoisotopicmass

  • 374.17294

smiles

  • COc1cc(ccc1O)[C@H]1O[C@H]([C@H](C)[C@@H]1C)c1cc(OC)c(O)c(OC)c1

subset

  • 3_STAR

synonym EXACT

  • rel-4-[(2R,3R,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68166

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