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Chemistry, part 3

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > ketone > aromatic ketone > 2-hydroxyl-3-pyrenocine-thiopropanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > 2-hydroxyl-3-pyrenocine-thiopropanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > 2-hydroxyl-3-pyrenocine-thiopropanoic acid
... > 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 > ketone > aromatic ketone > 2-hydroxyl-3-pyrenocine-thiopropanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 2-hydroxyl-3-pyrenocine-thiopropanoic acid

Preferred term

2-hydroxyl-3-pyrenocine-thiopropanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C14H18O7S

inchi

  • InChI=1S/C14H18O7S/c1-7(22-6-10(16)14(18)19)4-9(15)13-8(2)21-12(17)5-11(13)20-3/h5,7,10,16H,4,6H2,1-3H3,(H,18,19)/t7-,10?/m0/s1

inchikey

  • CCLCLVVAVVAADP-BYDSUWOYSA-N

mass

  • 330.350

monoisotopicmass

  • 330.07732

smiles

  • S([C@H](CC(=O)C=1C(OC)=CC(=O)OC1C)C)CC(O)C(=O)O

subset

  • 2_STAR

synonym EXACT

  • 2-hydroxy-3-[(2S)-4-(4-methoxy-2-methyl-6-oxopyran-3-yl)-4-oxobutan-2-yl]sulanylpropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208819

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