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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > apigenin 5-(6''-malonylglucoside)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > apigenin 5-(6''-malonylglucoside)

Preferred term

apigenin 5-(6''-malonylglucoside)  

Type

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

Broader concept

charge

  • 0

formula

  • C24H22O13

inchi

  • InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)14-7-13(27)20-15(35-14)5-12(26)6-16(20)36-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)/t17?,21-,22+,23?,24-/m1/s1

inchikey

  • HAEMQOGVHIZSOW-CFJLBEKGSA-N

mass

  • 518.427

monoisotopicmass

  • 518.10604

smiles

  • O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C(O)C2)COC(=O)CC(O)=O

subset

  • 2_STAR

synonym EXACT

  • 3-oxo-3-[[(3S,4S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxyoxan-2-yl]methoxy]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176372

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