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CHEBI:218161 - Dahliane B

ChEBI IDCHEBI:218161
ChEBI NameDahliane B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILESCC(CO)[C@H]1[C@@H](O)[C@@H](O)[C@@H]2[C@H]3OCC4=C3[C@@](C)(CC[C@@H]4O)CC[C@@]21C
InChIInChI=1S/C20H32O5/c1-10(8-21)13-16(23)17(24)15-18-14-11(9-25-18)12(22)4-5-19(14,2)6-7-20(13,15)3/h10,12-13,15-18,21-24H,4-9H2,1-3H3/t10?,12-,13-,15+,16+,17-,18-,19-,20+/m0/s1
InChIKeyGSCMNDGHAGKYNL-VUGDJNQGSA-N
Species of MetaboliteComponentSourceComments
Verticillium dahliae (ncbitaxon:27337) - PubMed (26221875)
ChEBI Ontology
Outgoing Relation(s)
Dahliane B (CHEBI:218161) is a dihydrofuran (CHEBI:51659)
IUPAC Name 
(1R,2R,3S,4R,5R,6R,9R,12S)-5-(1-hydroxypropan-2-yl)-6,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-ene-3,4,12-triol
Manual XrefsDatabases
78441789ChemSpider