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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > fatty acid ester > canescenin b
organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > canescenin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > canescenin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > canescenin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid derivative > fatty acid ester > canescenin b

Preferred term

canescenin b  

Type

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

Broader concept

charge

  • 0

formula

  • C14H20O8

inchi

  • InChI=1S/C14H20O8/c1-6-7(2)9(16)21-10-8(15)13(3,19)11(17)14(4,22-10)12(18)20-5/h7,10,19H,6H2,1-5H3/t7?,10-,13+,14-/m1/s1

inchikey

  • ZMKSDIASUBQUJL-HSCQSRIDSA-N

mass

  • 316.306

monoisotopicmass

  • 316.11582

smiles

  • O=C1[C@@](O)(C(=O)[C@H](OC(=O)C(CC)C)O[C@]1(C(=O)OC)C)C

subset

  • 2_STAR

synonym EXACT

  • methyl (2R,4R,6S)-4-hydroxy-2,4-dimethyl-6-(2-methylbutanoyloxy)-3,5-dioxooxane-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205840

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