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CHEBI:5992 - Isobutyrylmallotochromene

ChEBI IDCHEBI:5992
ChEBI NameIsobutyrylmallotochromene
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H30O8
Net Charge0
Average Mass470.518
Monoisotopic Mass470.19407
SMILESCOc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c2c(c(C(=O)C(C)C)c1O)OC(C)(C)C=C2
InChIInChI=1S/C26H30O8/c1-11(2)19(28)18-22(31)15(21(30)14-8-9-26(5,6)34-25(14)18)10-16-23(32)17(13(4)27)20(29)12(3)24(16)33-7/h8-9,11,29-32H,10H2,1-7H3
InChIKeyBYAZINICHUCWIL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isobutyrylmallotochromene (CHEBI:5992) is a 1-benzopyran (CHEBI:38443)
Synonym  Source
IsobutyrylmallotochromeneKEGG COMPOUND
Manual XrefsDatabases
C09009KEGG COMPOUND
C00002430KNApSAcK
Registry NumbersSources
CAS:116964-16-0KEGG COMPOUND