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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > 2-o-acetylcrinamabine trifluoroacetic acid

Preferred term

2-o-acetylcrinamabine trifluoroacetic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C20H22F3NO8

has_role

inchi

  • InChI=1S/C18H21NO6.C2HF3O2/c1-10(20)25-13-2-3-18(22)17(16(13)21)4-5-19(18)8-11-6-14-15(7-12(11)17)24-9-23-14;3-2(4,5)1(6)7/h6-7,13,16,21-22H,2-5,8-9H2,1H3;(H,6,7)/t13-,16-,17+,18-;/m0./s1

inchikey

  • CBNKNPJYMOTYPO-RQOHTHCISA-N

mass

  • 461.38580

monoisotopicmass

  • 461.12975

smiles

  • OC(=O)C(F)(F)F.CC(=O)O[C@H]1CC[C@@]2(O)N3CC[C@]2([C@H]1O)c1cc2OCOc2cc1C3

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68314

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