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Concept information

Preferred term

نپالنسینول D  

Type

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

charge

  • 0

formula

  • C42H34O10

has_role

inchi

  • InChI=1S/C42H34O10/c43-26-7-1-21(2-8-26)40-37(24-13-29(46)17-30(47)14-24)34-19-33(35(50)20-36(34)51-40)39-38(25-15-31(48)18-32(49)16-25)41(22-3-9-27(44)10-4-22)52-42(39)23-5-11-28(45)12-6-23/h1-20,37-50H/t37-,38+,39-,40+,41-,42-/m1/s1

inchikey

  • MYLPJMHAHFPCII-HQOKTICZSA-N

mass

  • 698.71340

monoisotopicmass

  • 698.21520

smiles

  • Oc1ccc(cc1)[C@H]1O[C@@H]([C@@H]([C@@H]1c1cc(O)cc(O)c1)c1cc2[C@H]([C@@H](Oc2cc1O)c1ccc(O)cc1)c1cc(O)cc(O)c1)c1ccc(O)cc1

subset

  • 3_STAR

synonym EXACT

  • 5-[(2R,3R)-5-[(2S,3S,4R,5S)-4-(3,5-dihydroxyphenyl)-2,5-bis(4-hydroxyphenyl)tetrahydrofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66616

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