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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 > isoscutellarein 7-(6'''-acetylallosyl-(1->2)-6''-acetylglucoside)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > isoscutellarein 7-(6'''-acetylallosyl-(1->2)-6''-acetylglucoside)

Preferred term

isoscutellarein 7-(6'''-acetylallosyl-(1->2)-6''-acetylglucoside)  

Type

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

Broader concept

charge

  • 0

formula

  • C31H34O18

inchi

  • InChI=1S/C31H34O18/c1-11(32)43-9-19-22(37)25(40)27(42)30(47-19)49-29-26(41)23(38)20(10-44-12(2)33)48-31(29)46-18-8-16(36)21-15(35)7-17(45-28(21)24(18)39)13-3-5-14(34)6-4-13/h3-8,19-20,22-23,25-27,29-31,34,36-42H,9-10H2,1-2H3/t19?,20?,22-,23-,25+,26+,27?,29?,30+,31-/m1/s1

inchikey

  • PWOFHOJJMWJGLT-QLIHZZAMSA-N

mass

  • 694.595

monoisotopicmass

  • 694.17451

smiles

  • O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(O)C=3OC(=CC(=O)C3C(O)=C2)C4=CC=C(O)C=C4)COC(=O)C)[C@@H]5OC([C@@H](O)[C@H](O)C5O)COC(=O)C

subset

  • 2_STAR

synonym EXACT

  • [(3S,4S,6S)-6-[(2S,4S,5S)-6-(acetyloxymethyl)-2-[5,8-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197176

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