CHEBI:5060 - Filixic acid BBB

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Filixic acid BBB
ChEBI ID CHEBI:5060
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C36H44O12
Net Charge 0
Average Mass 668.729
Monoisotopic Mass 668.28328
InChI InChI=1S/C36H44O12/c1-8-11-20(37)23-27(41)16(14-18-29(43)24(21(38)12-9-2)33(47)35(4,5)31(18)45)26(40)17(28(23)42)15-19-30(44)25(22(39)13-10-3)34(48)36(6,7)32(19)46/h40-42,45-48H,8-15H2,1-7H3
InChIKey CBJLTLWLKQTVHD-UHFFFAOYSA-N
SMILES CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CCC)C2=O)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CCC)C2=O)c1O
ChEBI Ontology
Outgoing Filixic acid BBB (CHEBI:5060) has functional parent phloroglucinol (CHEBI:16204)
Filixic acid BBB (CHEBI:5060) is a carboxylic ester (CHEBI:33308)
Synonyms Sources
Filicin KEGG COMPOUND
Filixic acid BBB KEGG COMPOUND
Manual Xrefs Databases
C00002696 KNApSAcK
C10693 KEGG COMPOUND
View more database links
Registry Number Type Source
4482-83-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014