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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > dicarboxylic acid > cyathiformine c
... > 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 c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > dicarboxylic acid > cyathiformine c
... > 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 c

Preferred term

cyathiformine c  

Type

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

Broader concept

charge

  • 0

formula

  • C12H15ClO7

inchi

  • InChI=1S/C12H15ClO7/c1-5(11(16)18-2)20-7-4-6(12(17)19-3)8(13)10(15)9(7)14/h4,7-10,14-15H,1H2,2-3H3/t7-,8+,9+,10-/m1/s1

inchikey

  • YQJPPQJZNBQQCU-XFWSIPNHSA-N

mass

  • 306.700

monoisotopicmass

  • 306.05063

smiles

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

subset

  • 2_STAR

synonym EXACT

  • methyl (3R,4R,5S,6S)-6-chloro-4,5-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexene-1-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203791

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