skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > ammonium ion derivative > (1r,3s)-3-(adamantan-1-yl)-1-(ammoniomethyl)-3,4-dihydroisochromene-5,6-diol(1+)
... > chemical entity > molecular entity > ion > cation > polyatomic cation > ammonium ion derivative > (1r,3s)-3-(adamantan-1-yl)-1-(ammoniomethyl)-3,4-dihydroisochromene-5,6-diol(1+)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic cation > ammonium ion derivative > (1r,3s)-3-(adamantan-1-yl)-1-(ammoniomethyl)-3,4-dihydroisochromene-5,6-diol(1+)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic cation > ammonium ion derivative > (1r,3s)-3-(adamantan-1-yl)-1-(ammoniomethyl)-3,4-dihydroisochromene-5,6-diol(1+)
... > chemical entity > molecular entity > ion > cation > organic cation > (1r,3s)-3-(adamantan-1-yl)-1-(ammoniomethyl)-3,4-dihydroisochromene-5,6-diol(1+)
... > chemical entity > molecular entity > ion > organic ion > organic cation > (1r,3s)-3-(adamantan-1-yl)-1-(ammoniomethyl)-3,4-dihydroisochromene-5,6-diol(1+)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > (1r,3s)-3-(adamantan-1-yl)-1-(ammoniomethyl)-3,4-dihydroisochromene-5,6-diol(1+)

Preferred term

(1r,3s)-3-(adamantan-1-yl)-1-(ammoniomethyl)-3,4-dihydroisochromene-5,6-diol(1+)  

Type

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

Broader concept

charge

  • +1

formula

  • C20H28NO3

inchi

  • InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/p+1/t11?,12?,13?,17-,18-,20?/m0/s1

inchikey

  • QLJOSZATCBCBDR-DFKUFRTHSA-O

is_conjugate_acid_of

mass

  • 330.44120

monoisotopicmass

  • 330.20637

smiles

  • [NH3+]C[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2

subset

  • 3_STAR

synonym EXACT

  • [(1R,3S)-3-(adamantan-1-yl)-5,6-dihydroxy-3,4-dihydro-1H-isochromen-1-yl]methanaminium

synonym RELATED

  • A 77636(1+)
  • A 77636 cation

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:64079

Download this concept:

RDF/XML TURTLE JSON-LD