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Chemistry, part 2

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Concept information

organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > astragalin heptaacetate
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > hexoside > glucoside > d-glucoside > beta-d-glucoside > astragalin heptaacetate
organooxygen compound > ester > carboxylic ester > acetate ester > astragalin heptaacetate
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > astragalin heptaacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > astragalin heptaacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > astragalin heptaacetate
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosyloxyflavone > kaempferol o-glucoside > astragalin heptaacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > flavones > glycosyloxyflavone > kaempferol o-glucoside > astragalin heptaacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > anthoxanthin > flavones > glycosyloxyflavone > kaempferol o-glucoside > astragalin heptaacetate

Preferred term

astragalin heptaacetate  

Type

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

Broader concept

charge

  • 0

formula

  • C35H34O18

has_functional_parent

has_role

inchi

  • InChI=1S/C35H34O18/c1-15(36)44-14-27-31(48-19(5)40)33(49-20(6)41)34(50-21(7)42)35(52-27)53-32-29(43)28-25(47-18(4)39)12-24(46-17(3)38)13-26(28)51-30(32)22-8-10-23(11-9-22)45-16(2)37/h8-13,27,31,33-35H,14H2,1-7H3/t27-,31-,33+,34-,35+/m1/s1

inchikey

  • XNIDEUYQVRRKJJ-FZPNTLRJSA-N

mass

  • 742.63370

monoisotopicmass

  • 742.17451

smiles

  • CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)-c2ccc(OC(C)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

subset

  • 3_STAR

synonym EXACT

  • 2-[4-(acetyloxy)phenyl]-4-oxo-3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-4H-chromene-5,7-diyl diacetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67927

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