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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 > phellatin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > phellatin

Preferred term

phellatin  

Type

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

Broader concept

charge

  • 0

formula

  • C26H30O12

inchi

  • InChI=1S/C26H30O12/c1-26(2,35)8-7-13-14(37-25-23(34)21(32)19(30)16(10-27)38-25)9-15-17(18(13)29)20(31)22(33)24(36-15)11-3-5-12(28)6-4-11/h3-6,9,16,19,21,23,25,27-30,32-35H,7-8,10H2,1-2H3/t16?,19-,21+,23?,25-/m1/s1

inchikey

  • BQLZQPGWNVTIHR-AWGWVDLJSA-N

mass

  • 534.514

monoisotopicmass

  • 534.17373

smiles

  • O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(CCC(O)(C)C)C(O)=C3C(OC(=C(O)C3=O)C4=CC=C(O)C=C4)=C2)CO

subset

  • 2_STAR

synonym EXACT

  • 3,5-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187625

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