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Concept information

organooxygen compound > oxacycle > benzopyran > 1-benzopyran > /{4-[1-hydroxy-3-(5-methoxy-2,2-dimethyl-2h-chromen-6-yl)propyl]phenyl/}oxidanesulfonic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > /{4-[1-hydroxy-3-(5-methoxy-2,2-dimethyl-2h-chromen-6-yl)propyl]phenyl/}oxidanesulfonic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > /{4-[1-hydroxy-3-(5-methoxy-2,2-dimethyl-2h-chromen-6-yl)propyl]phenyl/}oxidanesulfonic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > /{4-[1-hydroxy-3-(5-methoxy-2,2-dimethyl-2h-chromen-6-yl)propyl]phenyl/}oxidanesulfonic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > /{4-[1-hydroxy-3-(5-methoxy-2,2-dimethyl-2h-chromen-6-yl)propyl]phenyl/}oxidanesulfonic acid

Preferred term

/{4-[1-hydroxy-3-(5-methoxy-2,2-dimethyl-2h-chromen-6-yl)propyl]phenyl/}oxidanesulfonic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C21H24O7S

inchi

  • InChI=1S/C21H24O7S/c1-21(2)13-12-17-19(27-21)11-7-15(20(17)26-3)6-10-18(22)14-4-8-16(9-5-14)28-29(23,24)25/h4-5,7-9,11-13,18,22H,6,10H2,1-3H3,(H,23,24,25)

inchikey

  • QUCFTTIRDHIJOW-UHFFFAOYSA-N

mass

  • 420.480

monoisotopicmass

  • 420.12427

smiles

  • S(OC1=CC=C(C(O)CCC2=C(OC)C3=C(OC(C=C3)(C)C)C=C2)C=C1)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • [4-[1-hydroxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)propyl]phenyl] hydrogen sulate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168846

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