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Chemistry, part 1

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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 > alcohol > tertiary alcohol > licoagroside b
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > licoagroside b
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > licoagroside b
organooxygen compound > ester > carboxylic ester > dicarboxylic acid monoester > licoagroside b
organooxygen compound > carbonyl compound > carboxylic ester > dicarboxylic acid monoester > licoagroside b
organooxygen compound > carbonyl compound > carboxylic acid > dicarboxylic acid monoester > licoagroside b
organooxygen compound > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > licoagroside b
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > licoagroside b
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > licoagroside b
organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > licoagroside b
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > hexoside > glucoside > d-glucoside > beta-d-glucoside > licoagroside b

Preferred term

licoagroside b  

Type

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

Broader concept

charge

  • 0

formula

  • C18H24O12

has_functional_parent

has_role

inchi

  • InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18?/m1/s1

inchikey

  • WCVUIHQUPRXYKT-RGCIIANRSA-N

mass

  • 432.377

monoisotopicmass

  • 432.12678

smiles

  • O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=CC2=O)C)COC(=O)CC(CC(O)=O)(C)O

subset

  • 3_STAR

synonym EXACT

  • 2-methyl-4-oxo-4H-pyran-3-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside
  • licoagroside B

synonym RELATED

  • 3-hydroxy-3-methyl-5-oxo-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl]methoxy}pentanoic acid
  • maltol 3-O-[6-O-(3-hydroxy-3-methylglutaroyl)]-beta-D-glucopyranoside
  • tachiogroside B

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:142266

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