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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > pestalotiopisorin 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 > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > pestalotiopisorin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > pestalotiopisorin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > pestalotiopisorin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > cinnamic acids > hydroxycinnamic acid > pestalotiopisorin a

Preferred term

pestalotiopisorin a  

Type

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

Broader concept

charge

  • 0

formula

  • C14H14O5

has_functional_parent

inchi

  • InChI=1S/C14H14O5/c1-7-8(2)19-14(18)12-10(7)5-3-9(13(12)17)4-6-11(15)16/h3-8,17H,1-2H3,(H,15,16)/b6-4+/t7-,8-/m1/s1

inchikey

  • XSYRDVCSKQJINC-CTDODENGSA-N

mass

  • 262.261

monoisotopicmass

  • 262.08412

smiles

  • O=C1O[C@@H]([C@@H](C)C=2C1=C(O)C(=CC2)/C=C/C(=O)O)C

subset

  • 2_STAR

synonym EXACT

  • (E)-3-[(3R,4S)-8-hydroxy-3,4-dimethyl-1-oxo-3,4-dihydroisochromen-7-yl]prop-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207973

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