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Chemistry, part 2

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Concept information

organooxygen compound > oxacycle > benzopyran > 2-benzopyran > (3r,4r)-4,8-dihydroxy-5-(hydroxymethyl)-3-methylisochroman-1-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 2-benzopyran > (3r,4r)-4,8-dihydroxy-5-(hydroxymethyl)-3-methylisochroman-1-one
... > 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 > benzopyran > 2-benzopyran > (3r,4r)-4,8-dihydroxy-5-(hydroxymethyl)-3-methylisochroman-1-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 2-benzopyran > (3r,4r)-4,8-dihydroxy-5-(hydroxymethyl)-3-methylisochroman-1-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 2-benzopyran > (3r,4r)-4,8-dihydroxy-5-(hydroxymethyl)-3-methylisochroman-1-one
... > 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 > benzopyran > 2-benzopyran > (3r,4r)-4,8-dihydroxy-5-(hydroxymethyl)-3-methylisochroman-1-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 2-benzopyran > (3r,4r)-4,8-dihydroxy-5-(hydroxymethyl)-3-methylisochroman-1-one

Preferred term

(3r,4r)-4,8-dihydroxy-5-(hydroxymethyl)-3-methylisochroman-1-one  

Type

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

Broader concept

charge

  • 0

formula

  • C11H12O5

inchi

  • InChI=1S/C11H12O5/c1-5-10(14)8-6(4-12)2-3-7(13)9(8)11(15)16-5/h2-3,5,10,12-14H,4H2,1H3/t5-,10-/m1/s1

inchikey

  • ZHWRNRQCZZTGIO-GPXNAGAYSA-N

mass

  • 224.212

monoisotopicmass

  • 224.06847

smiles

  • O=C1O[C@@H]([C@@H](O)C=2C1=C(O)C=CC2CO)C

subset

  • 2_STAR

synonym EXACT

  • (3R,4S)-4,8-dihydroxy-5-(hydroxymethyl)-3-methyl-3,4-dihydroisochromen-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218499

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