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CHEBI:176024 - 8-Hydroxyhyperforin 8,1-hemiacetal

ChEBI IDCHEBI:176024
ChEBI Name8-Hydroxyhyperforin 8,1-hemiacetal
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52O5
Net Charge0
Average Mass552.796
Monoisotopic Mass552.38147
SMILESCC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C3(CC=C(C)C)O[C@]2(O)[C@]1(C(=O)C(C)C)C3=O
InChIInChI=1S/C35H52O5/c1-22(2)13-12-18-31(11)27(15-14-23(3)4)21-32(19-16-24(5)6)29(37)33(20-17-25(7)8)30(38)34(31,28(36)26(9)10)35(32,39)40-33/h13-14,16-17,26-27,39H,12,15,18-21H2,1-11H3/t27-,31+,32+,33?,34+,35-/m0/s1
InChIKeyIFUPNXPBDBNEAO-YYFYBKBNSA-N
ChEBI Ontology
Outgoing Relation(s)
8-Hydroxyhyperforin 8,1-hemiacetal (CHEBI:176024) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(1R,3R,4R,5S,7R,8S)-8-hydroxy-4-methyl-1,5,7-tris(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione
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