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CHEBI:177559 - Adhyperforin

ChEBI IDCHEBI:177559
ChEBI NameAdhyperforin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54O4
Net Charge0
Average Mass550.824
Monoisotopic Mass550.40221
SMILESCCC(C)C(=O)C12C(=O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC(CC=C(C)C)C1(C)CCC=C(C)C)C2=O
InChIInChI=1S/C36H54O4/c1-12-27(10)30(37)36-32(39)29(18-16-25(6)7)31(38)35(33(36)40,21-19-26(8)9)22-28(17-15-24(4)5)34(36,11)20-13-14-23(2)3/h14-16,19,27-28,38H,12-13,17-18,20-22H2,1-11H3
InChIKeyMGKCAFQXBAFOSW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Adhyperforin (CHEBI:177559) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
4-hydroxy-8-methyl-1-(2-methylbutanoyl)-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione
Manual XrefsDatabases
8139330ChemSpider