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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > para-terphenyl > [2,5-dihydroxy-4-[(3s)-3-hydroxybutanoyl]oxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-methylcyclopent-3-ene-1-carboxylate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > para-terphenyl > [2,5-dihydroxy-4-[(3s)-3-hydroxybutanoyl]oxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-methylcyclopent-3-ene-1-carboxylate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > para-terphenyl > [2,5-dihydroxy-4-[(3s)-3-hydroxybutanoyl]oxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-methylcyclopent-3-ene-1-carboxylate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > para-terphenyl > [2,5-dihydroxy-4-[(3s)-3-hydroxybutanoyl]oxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-methylcyclopent-3-ene-1-carboxylate

Preferred term

[2,5-dihydroxy-4-[(3s)-3-hydroxybutanoyl]oxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-methylcyclopent-3-ene-1-carboxylate  

Type

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

Broader concept

charge

  • 0

formula

  • C29H28O9

inchi

  • InChI=1S/C29H28O9/c1-15-3-4-19(13-15)29(36)38-28-24(18-7-11-21(32)12-8-18)25(34)27(37-22(33)14-16(2)30)23(26(28)35)17-5-9-20(31)10-6-17/h3,5-12,16,19,30-32,34-35H,4,13-14H2,1-2H3/t16-,19?/m0/s1

inchikey

  • VVDOLPJEDSUPSQ-UCFFOFKASA-N

mass

  • 520.534

monoisotopicmass

  • 520.17333

smiles

  • O=C(OC1=C(O)C(=C(OC(=O)C[C@@H](O)C)C(=C1C2=CC=C(O)C=C2)O)C3=CC=C(O)C=C3)C4CC(C)=CC4

subset

  • 2_STAR

synonym EXACT

  • [2,5-dihydroxy-4-[(3S)-3-hydroxybutanoyl]oxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-methylcyclopent-3-ene-1-carboxylate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225465

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