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Concept information

organooxygen compound > ether > aromatic ether > 7'-o-demethylisocephaeline

Preferred term

7'-o-demethylisocephaeline  

Type

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

charge

  • 0

formula

  • C27H36N2O4

has_role

inchi

  • InChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-25(31)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/t16-,19-,22-,23-/m0/s1

inchikey

  • HGQNZTBYUKKJLH-CQOCVSQPSA-N

mass

  • 452.58570

monoisotopicmass

  • 452.26751

smiles

  • [H][C@]1(C[C@]2([H])NCCc3cc(O)c(O)cc23)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC

subset

  • 3_STAR

synonym EXACT

  • (1'beta)-10,11-dimethoxyemetan-6',7'-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65740

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