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Chemistry, part 2

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 > hydroxyflavone > dihydroxyflavone > mirificin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxyflavone > dihydroxyflavone > mirificin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > flavones > hydroxyflavone > dihydroxyflavone > mirificin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > anthoxanthin > flavones > hydroxyflavone > dihydroxyflavone > mirificin
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > c-glycosyl compound > flavone c-glycoside > mirificin
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > c-glycosyl compound > flavone c-glycoside > mirificin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > flavones > flavone c-glycoside > mirificin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > anthoxanthin > flavones > flavone c-glycoside > mirificin

Preferred term

mirificin  

Type

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

Broader concept

charge

  • 0

formula

  • C26H28O13

has_role

inchi

  • InChI=1S/C26H28O13/c27-9-26(35)10-38-25(24(26)34)37-8-16-19(31)20(32)21(33)23(39-16)17-15(29)6-5-13-18(30)14(7-36-22(13)17)11-1-3-12(28)4-2-11/h1-7,16,19-21,23-25,27-29,31-35H,8-10H2/t16-,19-,20+,21-,23+,24+,25-,26-/m1/s1

inchikey

  • ZBXWGKPUSLRPHX-QOIVFALESA-N

mass

  • 548.49270

monoisotopicmass

  • 548.15299

smiles

  • OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)c2c(O)ccc3c2occ(-c2ccc(O)cc2)c3=O)[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • (1S)-1,5-anhydro-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-D-glucitol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:85168

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