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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 > okanin 4'-gentiobioside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > okanin 4'-gentiobioside

Preferred term

okanin 4'-gentiobioside  

Type

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

Broader concept

charge

  • 0

formula

  • C27H32O16

inchi

  • InChI=1S/C27H32O16/c28-8-16-20(34)22(36)24(38)26(42-16)40-9-17-21(35)23(37)25(39)27(43-17)41-15-6-3-11(18(32)19(15)33)12(29)4-1-10-2-5-13(30)14(31)7-10/h1-7,16-17,20-28,30-39H,8-9H2/b4-1+/t16-,17-,20-,21-,22-,23-,24-,25-,26-,27-/m1/s1

inchikey

  • RSIUIFIIPQHJPT-GXPKAAGFSA-N

mass

  • 612.537

monoisotopicmass

  • 612.16903

smiles

  • O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(O)C(O)=C(C=C2)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO[C@@H]4O[C@@H]([C@@H](O)[C@@H](O)[C@H]4O)CO

subset

  • 2_STAR

synonym EXACT

  • (E)-3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-en-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:196990

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