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CHEBI:5060 - Filixic acid BBB

ChEBI IDCHEBI:5060
ChEBI NameFilixic acid BBB
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC36H44O12
Net Charge0
Average Mass668.736
Monoisotopic Mass668.28328
SMILESCCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(=O)CCC)C3=O)c(O)c(C(=O)CCC)c2O)C1=O
InChIInChI=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
InChIKeyCBJLTLWLKQTVHD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Filixic acid BBB (CHEBI:5060) has functional parent phloroglucinol (CHEBI:16204)
Filixic acid BBB (CHEBI:5060) is a carboxylic ester (CHEBI:33308)
Synonyms  Source
Filixic acid BBBKEGG COMPOUND
FilicinKEGG COMPOUND
Manual XrefsDatabases
C10693KEGG COMPOUND
C00002696KNApSAcK
Registry NumbersSources
CAS:4482-83-1KEGG COMPOUND