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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > benzofurans > 6-demethylpenisimplicibetain
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > 6-demethylpenisimplicibetain
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > 6-demethylpenisimplicibetain
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > 6-demethylpenisimplicibetain
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > 6-demethylpenisimplicibetain
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > 6-demethylpenisimplicibetain
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > 6-demethylpenisimplicibetain

Preferred term

6-demethylpenisimplicibetain  

Type

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

Broader concept

charge

  • 0

formula

  • C15H12O6

inchi

  • InChI=1S/C15H12O6/c1-7-3-11(17)10(6-20-7)14-13-9(15(18)21-14)4-8(16)5-12(13)19-2/h3-6,14,16H,1-2H3/t14-/m0/s1

inchikey

  • PNHOLPCUUGWDNK-AWEZNQCLSA-N

mass

  • 288.255

monoisotopicmass

  • 288.06339

smiles

  • O=C1C(=COC(=C1)C)[C@@H]2OC(=O)C=3C2=C(OC)C=C(O)C3

subset

  • 2_STAR

synonym EXACT

  • (3R)-6-hydroxy-4-methoxy-3-(6-methyl-4-oxopyran-3-yl)-3H-2-benzouran-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200041

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