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CHEBI:175969 - Pyrohyperforin

ChEBI IDCHEBI:175969
ChEBI NamePyrohyperforin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H50O4
Net Charge0
Average Mass534.781
Monoisotopic Mass534.37091
SMILESCC(C)=CCCC1(C)C(CC=C(C)C)CC2(CC=C(C)C)C(=O)C1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1
InChIInChI=1S/C35H50O4/c1-22(2)13-12-18-33(11)26(15-14-23(3)4)21-34(20-16-24(5)6)30-27(17-19-32(9,10)39-30)29(37)35(33,31(34)38)28(36)25(7)8/h13-14,16-17,19,25-26H,12,15,18,20-21H2,1-11H3
InChIKeyFSQFBVMRHUNWAT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Pyrohyperforin (CHEBI:175969) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
4,4,10-trimethyl-1,11-bis(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-(2-methylpropanoyl)-3-oxatricyclo[7.3.1.02,7]trideca-2(7),5-diene-8,13-dione
Manual XrefsDatabases
HMDB0035899HMDB
35014045ChemSpider