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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > kweichowenol b
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > kweichowenol b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > polyol > triol > kweichowenol b
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > polyol > triol > kweichowenol b
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > polyol > triol > kweichowenol b

Preferred term

kweichowenol b  

Type

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

Broader concept

charge

  • 0

formula

  • C21H20O7

has_parent_hydride

has_role

inchi

  • InChI=1S/C21H20O7/c22-17-16(28-20(25)15-9-5-2-6-10-15)11-12-21(26,18(17)23)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2/t16-,17+,18-,21+/m0/s1

inchikey

  • PCFGXGDGOLIQTE-TWFHAPMSSA-N

mass

  • 384.37930

monoisotopicmass

  • 384.12090

smiles

  • O[C@@H]1[C@@H](OC(=O)c2ccccc2)C=C[C@@](O)(COC(=O)c2ccccc2)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • (1S,4R,5S,6S)-4-[(benzoyloxy)methyl]-4,5,6-trihydroxycyclohex-2-en-1-yl benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66152

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