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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 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > apigenin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]

Preferred term

apigenin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]  

Type

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

Broader concept

charge

  • 0

formula

  • C27H28O14

inchi

  • InChI=1S/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32)/t19?,23-,24+,25?,26-,27?/m1/s1

inchikey

  • WWGLAVUKYJELNJ-XVNLUTQYSA-N

mass

  • 576.507

monoisotopicmass

  • 576.14791

smiles

  • O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(O)C=C4)COC(=O)CC(O)(CC(O)=O)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:186093

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