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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > hydroxybenzoic acid > aspergimarin c
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > aspergimarin c
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > aspergimarin c
organic aromatic compound > phenols > hydroxybenzoic acid > aspergimarin c
... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > aspergimarin c
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > aspergimarin c
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > aspergimarin c
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > aspergimarin c
organic aromatic compound > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > aspergimarin c

Preferred term

aspergimarin c  

Type

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

Broader concept

charge

  • 0

formula

  • C20H28O8

inchi

  • InChI=1S/C20H28O8/c1-12(27-17(24)11-20(2,26)8-9-21)4-3-5-13-10-14-15(22)6-7-16(23)18(14)19(25)28-13/h6-7,12-13,21-23,26H,3-5,8-11H2,1-2H3/t12-,13+,20+/m0/s1

inchikey

  • YLGGKUNRZWXPJM-MRRFBWAASA-N

mass

  • 396.436

monoisotopicmass

  • 396.17842

smiles

  • O=C1O[C@@H](CC=2C1=C(O)C=CC2O)CCC[C@@H](OC(=O)C[C@](O)(CCO)C)C

subset

  • 2_STAR

synonym EXACT

  • [(2S)-5-[(3R)-5,8-dihydroxy-1-oxo-3,4-dihydroisochromen-3-yl]pentan-2-yl] (3R)-3,5-dihydroxy-3-methylpentanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211450

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