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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > (6as,11as)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan

Preferred term

(6as,11as)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan  

Type

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

charge

  • 0

formula

  • C20H20O5

has_functional_parent

inchi

  • InChI=1S/C20H20O5/c1-11(2)3-4-12-7-14-17(9-16(12)22)24-10-20(23)15-6-5-13(21)8-18(15)25-19(14)20/h3,5-9,19,21-23H,4,10H2,1-2H3/t19-,20+/m0/s1

inchikey

  • TUXXPRXOVFCNPC-VQTJNVASSA-N

mass

  • 340.36980

monoisotopicmass

  • 340.13107

smiles

  • [H][C@@]12Oc3cc(O)ccc3[C@]1(O)COc1cc(O)c(CC=C(C)C)cc21

subset

  • 3_STAR

synonym EXACT

  • (6aS,11aS)-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromene-3,6a,9(11aH)-triol
  • (6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:50118

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