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CHEBI:222230 - Neocyathin T

ChEBI IDCHEBI:222230
ChEBI NameNeocyathin T
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O6
Net Charge0
Average Mass382.497
Monoisotopic Mass382.23554
SMILESCO[C@@H]1C[C@]2(C)CC[C@]3(C)[C@](O)(C[C@H]4O[C@]3(O)[C@H](O)[C@@H]4CO)C2=C1C(C)C
InChIInChI=1S/C21H34O6/c1-11(2)15-14(26-5)8-18(3)6-7-19(4)20(24,16(15)18)9-13-12(10-22)17(23)21(19,25)27-13/h11-14,17,22-25H,6-10H2,1-5H3/t12-,13-,14-,17-,18+,19-,20+,21-/m1/s1
InChIKeyXRSIVTMZKDLANL-PTBKGXCNSA-N
Species of MetaboliteComponentSourceComments
Cyathus africanus (ncbitaxon:380649) - PubMed (30327549)
ChEBI Ontology
Outgoing Relation(s)
Neocyathin T (CHEBI:222230) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2R,5S,7R,10S,12R,13S,14R)-13-(hydroxymethyl)-7-methoxy-2,5-dimethyl-8-propan-2-yl-15-oxatetracyclo[10.2.1.02,10.05,9]pentadec-8-ene-1,10,14-triol