skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > isoorientin 4'-o-glucoside-2''-o-(e)-caffeate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > isoorientin 4'-o-glucoside-2''-o-(e)-caffeate

Preferred term

isoorientin 4'-o-glucoside-2''-o-(e)-caffeate  

Type

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

Broader concept

charge

  • 0

formula

  • C36H36O19

inchi

  • InChI=1S/C36H36O19/c37-11-23-29(46)32(49)35(55-25(44)6-2-13-1-4-15(39)16(40)7-13)34(52-23)27-19(43)10-22-26(30(27)47)18(42)9-21(51-22)14-3-5-20(17(41)8-14)53-36-33(50)31(48)28(45)24(12-38)54-36/h1-10,23-24,28-29,31-41,43,45-50H,11-12H2/b6-2+/t23?,24?,28-,29-,31+,32+,33?,34+,35?,36-/m1/s1

inchikey

  • QWGBDMJTBSBVRW-JAXNDVECSA-N

mass

  • 772.665

monoisotopicmass

  • 772.18508

smiles

  • O1[C@](C(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@@H](O)[C@H](O)C1CO)(C3=C(O)C4=C(OC(=CC4=O)C5=CC(O)=C(O[C@@H]6OC([C@@H](O)[C@H](O)C6O)CO)C=C5)C=C3O)[H]

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192902

Download this concept:

RDF/XML TURTLE JSON-LD