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Chemistry, part 2

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Concept information

organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > c-glycosyl compound > isoscoparin 2''-o-ferulate
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > c-glycosyl compound > isoscoparin 2''-o-ferulate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > isoscoparin 2''-o-ferulate

Preferred term

isoscoparin 2''-o-ferulate  

Type

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

Broader concept

charge

  • 0

formula

  • C32H30O14

inchi

  • InChI=1S/C32H30O14/c1-42-21-9-14(3-6-16(21)34)4-8-25(38)46-32-30(41)28(39)24(13-33)45-31(32)27-19(37)12-23-26(29(27)40)18(36)11-20(44-23)15-5-7-17(35)22(10-15)43-2/h3-12,24,28,30-35,37,39-41H,13H2,1-2H3/b8-4+/t24?,28-,30+,31+,32?/m1/s1

inchikey

  • DHXHQFPPCWRLFJ-OGPBASHVSA-N

mass

  • 638.578

monoisotopicmass

  • 638.16356

smiles

  • O1[C@](C(OC(=O)/C=C/C2=CC(OC)=C(O)C=C2)[C@@H](O)[C@H](O)C1CO)(C3=C(O)C4=C(OC(=CC4=O)C5=CC(OC)=C(O)C=C5)C=C3O)[H]

subset

  • 2_STAR

synonym EXACT

  • [(2S,4S,5S)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168547

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