CHEBI:2518 - Agrimophol

ChEBI IDCHEBI:2518
ChEBI NameAgrimophol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H34O8
Net Charge0
Average Mass474.550
Monoisotopic Mass474.22537
SMILESCCCC(=O)c1c(O)c(C[C@]2(C)C(=O)C(C(=O)[C@H](C)CC)=C(O)C(C)=C2O)c(O)c(C)c1OC
InChIInChI=1S/C26H34O8/c1-8-10-16(27)17-22(31)15(20(29)13(4)23(17)34-7)11-26(6)24(32)14(5)21(30)18(25(26)33)19(28)12(3)9-2/h12,29-32H,8-11H2,1-7H3/t12-,26+/m1/s1
InChIKeyNQGCBDWQKDAGTK-RYZVSIALSA-N
ChEBI Ontology
Outgoing Relation(s)
Agrimophol (CHEBI:2518) has functional parent phloroglucinol (CHEBI:16204)
Agrimophol (CHEBI:2518) is a carboxylic ester (CHEBI:33308)
Synonym  Source
AgrimopholKEGG COMPOUND
Manual XrefsDatabases
C10671KEGG COMPOUND
C00002688KNApSAcK
Registry NumbersSources
CAS:65792-05-4KEGG COMPOUND