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CHEBI:212846 - Pestalotheol H

ChEBI IDCHEBI:212846
ChEBI NamePestalotheol H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O3
Net Charge0
Average Mass264.365
Monoisotopic Mass264.17254
SMILESCC(C)=CCC1=C[C@@H]2O[C@@H](C(C)(C)O)C[C@H]2CC1=O
InChIInChI=1S/C16H24O3/c1-10(2)5-6-11-8-14-12(7-13(11)17)9-15(19-14)16(3,4)18/h5,8,12,14-15,18H,6-7,9H2,1-4H3/t12-,14+,15-/m1/s1
InChIKeyHNJIEOWISAFAKD-VHDGCEQUSA-N
ChEBI Ontology
Outgoing Relation(s)
Pestalotheol H (CHEBI:212846) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2R,3aS,7aR)-2-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-3,3a,4,7a-tetrahydro-2H-1-benzouran-5-one
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