CHEBI:2518 - Agrimophol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Agrimophol
ChEBI ID CHEBI:2518
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H34O8
Net Charge 0
Average Mass 474.544
Monoisotopic Mass 474.22537
InChI InChI=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
InChIKey NQGCBDWQKDAGTK-RYZVSIALSA-N
SMILES CCCC(=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
ChEBI Ontology
Outgoing Agrimophol (CHEBI:2518) has functional parent phloroglucinol (CHEBI:16204)
Agrimophol (CHEBI:2518) is a carboxylic ester (CHEBI:33308)
Synonym Source
Agrimophol KEGG COMPOUND
Manual Xrefs Databases
C00002688 KNApSAcK
C10671 KEGG COMPOUND
View more database links
Registry Number Type Source
65792-05-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014