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CHEBI:201347 - Plicatilisin D

ChEBI IDCHEBI:201347
ChEBI NamePlicatilisin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESCC(C)[C@H]1[C@@H](O)C(=O)[C@@]2(O)[C@H]3OCC4=C3[C@@](C)(CC[C@@H]4O)CC[C@]12C
InChIInChI=1S/C20H30O5/c1-10(2)13-15(22)16(23)20(24)17-14-11(9-25-17)12(21)5-6-18(14,3)7-8-19(13,20)4/h10,12-13,15,17,21-22,24H,5-9H2,1-4H3/t12-,13-,15+,17-,18-,19+,20+/m0/s1
InChIKeyGLVVTGQCCKZTDQ-CIQUPHSFSA-N
Species of MetaboliteComponentSourceComments
Coprinus (ncbitaxon:5345) - PubMed (22749279)
ChEBI Ontology
Outgoing Relation(s)
Plicatilisin D (CHEBI:201347) is a dihydrofuran (CHEBI:51659)
IUPAC Name 
(1S,2S,4R,5R,6R,9R,12S)-2,4,12-trihydroxy-6,9-dimethyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-en-3-one
Manual XrefsDatabases
28516337ChemSpider