skip to main content

Chemistry, part 1

Content language

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

Concept information

... > organooxygen compound > ester > carboxylic ester > benzoate ester > 4-hydroxybenzoate ester > orsellide a1
... > organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > 4-hydroxybenzoate ester > orsellide a1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > orsellide a1
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > orsellide a1
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > orsellide a1
organic aromatic compound > phenols > 4-hydroxybenzoate ester > orsellide a1

Preferred term

orsellide a1  

Type

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

Broader concept

charge

  • 0

formula

  • C16H20O8

inchi

  • InChI=1S/C16H20O8/c1-4-22-16-14(13(20)12(19)8(3)23-16)24-15(21)11-7(2)5-9(17)6-10(11)18/h5-6,8,12,14,16-19H,4H2,1-3H3/t8-,12+,14+,16-/m0/s1

inchikey

  • FTDLNCOFPDXPIB-PADWCBLRSA-N

mass

  • 340.328

monoisotopicmass

  • 340.11582

smiles

  • O=C1[C@@H](OC(=O)C2=C(O)C=C(O)C=C2C)[C@H](O[C@H]([C@H]1O)C)OCC

subset

  • 2_STAR

synonym EXACT

  • [(2S,3S,5R,6S)-2-ethoxy-5-hydroxy-6-methyl-4-oxooxan-3-yl] 2,4-dihydroxy-6-methylbenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214252

Download this concept:

RDF/XML TURTLE JSON-LD