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Chemistry, part 2

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 > organonitrogen compound > organonitrogen heterocyclic compound > pyridines > phenylpyridine > lsm-12344
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > phenylpyridine > lsm-12344
... > 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 > organonitrogen heterocyclic compound > pyridines > phenylpyridine > lsm-12344
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > phenylpyridine > lsm-12344
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyridines > phenylpyridine > lsm-12344
... > 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 heteromonocyclic compound > pyridines > phenylpyridine > lsm-12344
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyridines > phenylpyridine > lsm-12344

Preferred term

lsm-12344  

Type

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

Broader concept

charge

  • 0

formula

  • C27H28N2O5

inchi

  • InChI=1S/C27H28N2O5/c1-33-23-11-7-6-10-18(23)19-12-13-21-25-24(27(32)34-2)20(16-30)22(15-29(21)26(19)31)28(25)14-17-8-4-3-5-9-17/h3-13,20,22,24-25,30H,14-16H2,1-2H3/t20-,22-,24+,25+/m1/s1

inchikey

  • VLQJEDUGSYPRCL-KAKDDGLXSA-N

mass

  • 460.523

monoisotopicmass

  • 460.19982

smiles

  • COC1=CC=CC=C1C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4CC5=CC=CC=C5)CN3C2=O)CO)C(=O)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:100971

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