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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > primary alcohol > (-)-(7's,8s,8'r)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > polyphenol > (-)-(7's,8s,8'r)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > polyphenol > (-)-(7's,8s,8'r)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > polyphenol > (-)-(7's,8s,8'r)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one
... > organooxygen compound > ether > aromatic ether > methoxybenzenes > dimethoxybenzene > (-)-(7's,8s,8'r)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > methoxybenzenes > dimethoxybenzene > (-)-(7's,8s,8'r)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > methoxybenzenes > dimethoxybenzene > (-)-(7's,8s,8'r)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one
organooxygen compound > carbonyl compound > ketone > aromatic ketone > (-)-(7's,8s,8'r)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > (-)-(7's,8s,8'r)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > (-)-(7's,8s,8'r)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > lignan > (-)-(7's,8s,8'r)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one

Preferred term

(-)-(7's,8s,8'r)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7',9-epoxylignan-9'-ol-7-one  

Type

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

charge

  • 0

formula

  • C22H26O9

inchi

  • InChI=1S/C22H26O9/c1-27-15-5-11(6-16(28-2)20(15)25)19(24)14-10-31-22(13(14)9-23)12-7-17(29-3)21(26)18(8-12)30-4/h5-8,13-14,22-23,25-26H,9-10H2,1-4H3/t13-,14+,22+/m0/s1

inchikey

  • ANCVHDRNDJRUOT-DJEJFTSGSA-N

mass

  • 434.43640

monoisotopicmass

  • 434.15768

smiles

  • COc1cc(cc(OC)c1O)[C@H]1OC[C@H]([C@@H]1CO)C(=O)c1cc(OC)c(O)c(OC)c1

subset

  • 3_STAR

synonym EXACT

  • (4-hydroxy-3,5-dimethoxyphenyl)[(3S,4R,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)tetrahydrofuran-3-yl]methanone

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67628

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