skip to main content

Content language

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

Concept information

Preferred term

3،4 دی کافئویل 1،5 کینولاکتون  

Type

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

charge

  • 0

formula

  • C25H22O11

inchi

  • InChI=1S/C25H22O11/c26-15-5-1-13(9-17(15)28)3-7-21(30)34-19-11-25(33)12-20(35-24(25)32)23(19)36-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,33H,11-12H2/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1

inchikey

  • ZLYIWYCHNAZAQI-PSEXTPKNSA-N

mass

  • 498.440

monoisotopicmass

  • 498.11621

smiles

  • O1[C@@]2(C[C@@](O)(C[C@@H](OC(=O)/C=C/C3=CC(O)=C(O)C=C3)[C@H]2OC(=O)/C=C/C4=CC(O)=C(O)C=C4)C1=O)[H]

subset

  • 2_STAR

synonym EXACT

  • [(1R,3R,4R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1-hydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169847

Download this concept: