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Concept information

organooxygen compound > ether > aromatic ether > 5-methoxy-8-(2'-hydroxy-3'-buthoxy-3'-methylbutyloxy)psoralen
... > organooxygen compound > oxacycle > furochromene > furanocoumarin > psoralens > 5-methoxy-8-(2'-hydroxy-3'-buthoxy-3'-methylbutyloxy)psoralen

Preferred term

5-methoxy-8-(2'-hydroxy-3'-buthoxy-3'-methylbutyloxy)psoralen  

Type

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

charge

  • 0

formula

  • C21H26O7

has_functional_parent

inchi

  • InChI=1S/C21H26O7/c1-5-6-10-27-21(2,3)15(22)12-26-20-18-14(9-11-25-18)17(24-4)13-7-8-16(23)28-19(13)20/h7-9,11,15,22H,5-6,10,12H2,1-4H3/t15-/m1/s1

inchikey

  • HYFWQORTIZQRLZ-OAHLLOKOSA-N

mass

  • 390.42690

monoisotopicmass

  • 390.16785

smiles

  • CCCCOC(C)(C)[C@H](O)COc1c2occc2c(OC)c2ccc(=O)oc12

subset

  • 3_STAR

synonym EXACT

  • 9-{[(2R)-3-butoxy-2-hydroxy-3-methylbutyl]oxy}-4-methoxy-7H-furo[3,2-g]chromen-7-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66697

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