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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > dicarboxylic acid > cyathiformine a
... > 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 acid > dicarboxylic acid > cyathiformine a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > dicarboxylic acid > cyathiformine a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > dicarboxylic acid > cyathiformine a

Preferred term

cyathiformine a  

Type

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

Broader concept

charge

  • 0

formula

  • C12H14O7

inchi

  • InChI=1S/C12H14O7/c1-5(11(14)16-2)18-7-4-6(12(15)17-3)9-10(19-9)8(7)13/h4,7-10,13H,1H2,2-3H3/t7-,8+,9-,10+/m1/s1

inchikey

  • XDDVCQKECCSPCY-RGOKHQFPSA-N

mass

  • 270.237

monoisotopicmass

  • 270.07395

smiles

  • O=C(OC)C1=C[C@@H](OC(C(=O)OC)=C)[C@H](O)[C@H]2[C@@H]1O2

subset

  • 2_STAR

synonym EXACT

  • methyl (1R,4R,5S,6S)-5-hydroxy-4-(3-methoxy-3-oxoprop-1-en-2-yl)oxy-7-oxabicyclo[4.1.0]hept-2-ene-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210812

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