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CHEBI:209095 - Plicatilisin H

ChEBI IDCHEBI:209095
ChEBI NamePlicatilisin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC(C)[C@H]1C(=O)[C@@H](O)C2=C3OCC4=C3[C@@](C)(CC[C@@H]4O)CC[C@@]21C
InChIInChI=1S/C20H28O4/c1-10(2)13-16(22)17(23)15-18-14-11(9-24-18)12(21)5-6-19(14,3)7-8-20(13,15)4/h10,12-13,17,21,23H,5-9H2,1-4H3/t12-,13-,17-,19-,20+/m0/s1
InChIKeyZXCHVMCCIOEUKW-OERWWNBKSA-N
Species of MetaboliteComponentSourceComments
Parasola plicatilis (ncbitaxon:76939) - DOI (10.1016/j.phytol.2013.11.014)
ChEBI Ontology
Outgoing Relation(s)
Plicatilisin H (CHEBI:209095) is a dihydrofuran (CHEBI:51659)
IUPAC Name 
(3S,5R,6R,9R,12S)-3,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,13(16)-dien-4-one
Manual XrefsDatabases
32742615ChemSpider