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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > c-glycosyl compound > vitexin 2''-o-(2'''-methylbutyryl)
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > c-glycosyl compound > vitexin 2''-o-(2'''-methylbutyryl)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > vitexin 2''-o-(2'''-methylbutyryl)

Preferred term

vitexin 2''-o-(2'''-methylbutyryl)  

Type

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

Broader concept

charge

  • 0

formula

  • C26H28O11

inchi

  • InChI=1S/C26H28O11/c1-3-11(2)26(34)37-25-22(33)21(32)18(10-27)36-24(25)20-15(30)8-14(29)19-16(31)9-17(35-23(19)20)12-4-6-13(28)7-5-12/h4-9,11,18,21-22,24-25,27-30,32-33H,3,10H2,1-2H3/t11?,18?,21-,22+,24+,25?/m1/s1

inchikey

  • WEAUPFXXCUHVAE-YMMZBZNYSA-N

mass

  • 516.499

monoisotopicmass

  • 516.16316

smiles

  • O1[C@](C(OC(=O)C(CC)C)[C@@H](O)[C@H](O)C1CO)(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(O)C=C4)[H]

subset

  • 2_STAR

synonym EXACT

  • [(2S,4S,5S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-methylbutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187512

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