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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-o-acetylbulbisine trifluoroacetic acid

Preferred term

1-o-acetylbulbisine trifluoroacetic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C21H24F3NO8

has_role

inchi

  • InChI=1S/C19H23NO6.C2HF3O2/c1-10(21)26-18-13(22)3-4-15-19(18)5-6-20(15)8-11-12(19)7-14-17(16(11)23-2)25-9-24-14;3-2(4,5)1(6)7/h7,13,15,18,22H,3-6,8-9H2,1-2H3;(H,6,7)/t13-,15+,18-,19-;/m0./s1

inchikey

  • PHKPVEVVOAOZGO-QCAFIXIBSA-N

mass

  • 475.41240

monoisotopicmass

  • 475.14540

smiles

  • OC(=O)C(F)(F)F.[H][C@@]12CC[C@H](O)[C@H](OC(C)=O)[C@]11CCN2Cc2c(OC)c3OCOc3cc12

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68317

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