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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 > 1-epijosephinine trifluoroacetic acid

Preferred term

1-epijosephinine trifluoroacetic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C20H22F3NO7

has_role

inchi

  • InChI=1S/C18H21NO5.C2HF3O2/c1-10(20)24-13-2-3-16-18(17(13)21)4-5-19(16)8-11-6-14-15(7-12(11)18)23-9-22-14;3-2(4,5)1(6)7/h6-7,13,16-17,21H,2-5,8-9H2,1H3;(H,6,7)/t13-,16+,17-,18-;/m0./s1

inchikey

  • VIBZMUTTWAQWSP-XUEOZKIVSA-N

mass

  • 445.38640

monoisotopicmass

  • 445.13484

smiles

  • OC(=O)C(F)(F)F.[H][C@@]12CC[C@H](OC(C)=O)[C@H](O)[C@]11CCN2Cc2cc3OCOc3cc12

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68309

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