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

Preferred term

aspergimarin b  

Type

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

Broader concept

charge

  • 0

formula

  • C18H22O8

inchi

  • InChI=1S/C18H22O8/c1-10(25-16(23)8-7-15(21)22)3-2-4-11-9-12-13(19)5-6-14(20)17(12)18(24)26-11/h5-6,10-11,19-20H,2-4,7-9H2,1H3,(H,21,22)/t10-,11+/m0/s1

inchikey

  • KTEFRIADHWTBQB-WDEREUQCSA-N

mass

  • 366.366

monoisotopicmass

  • 366.13147

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211443

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