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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > 1-hydroxy-collybolide
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > 1-hydroxy-collybolide

Preferred term

1-hydroxy-collybolide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H20O8

inchi

  • InChI=1S/C22H20O8/c1-22-9-13(28-21(22)26)16(23)14-15(22)18(30-19(24)11-5-3-2-4-6-11)17(29-20(14)25)12-7-8-27-10-12/h2-8,10,13-18,23H,9H2,1H3/t13-,14-,15+,16+,17-,18+,22+/m0/s1

inchikey

  • ACQFNXPWIUICHP-LUCCEVRESA-N

mass

  • 412.394

monoisotopicmass

  • 412.11582

smiles

  • O=C1O[C@@H](C2=COC=C2)[C@H](OC(=O)C3=CC=CC=C3)[C@H]4[C@H]1[C@H](O)[C@H]5OC([C@@]4(C5)C)=O

subset

  • 2_STAR

synonym EXACT

  • [(1R,2S,3R,4S,7S,8S,9S)-4-(uran-3-yl)-8-hydroxy-1-methyl-6,11-dioxo-5,10-dioxatricyclo[7.2.1.02,7]dodecan-3-yl] benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212904

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