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CHEBI:176807 - 33-Deoxy-33-hydroperoxyfurohyperforin

Default Structure
ChEBI IDCHEBI:176807
ChEBI Name33-Deoxy-33-hydroperoxyfurohyperforin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52O6
Net Charge0
Average Mass568.795
Monoisotopic Mass568.37639
SMILESCC(C)=CCCC1(C)C(CC=C(C)C)CC23CC(C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)C1(C(=O)C(C)C)C3=O
InChIInChI=1S/C35H52O6/c1-21(2)13-12-18-33(11)25(16-14-22(3)4)19-34-20-27(32(9,10)41-39)40-30(34)26(17-15-23(5)6)29(37)35(33,31(34)38)28(36)24(7)8/h13-15,24-25,27,39H,12,16-20H2,1-11H3
InChIKeyCSWYLIDLQDJVCQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sipunculus nudus (ncbitaxon:6446) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
33-Deoxy-33-hydroperoxyfurohyperforin (CHEBI:176807) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
3-(2-hydroperoxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
Manual XrefsDatabases
35014561ChemSpider
HMDB0038387HMDB