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CHEBI:213212 - Cyafrin A5

ChEBI IDCHEBI:213212
ChEBI NameCyafrin A5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESCC(C)C1=C2[C@H]3C[C@H]4OC(O)([C@@H]5O[C@]45CO)[C@]3(C)CC[C@@]2(C)[C@H](O)C1
InChIInChI=1S/C20H30O5/c1-10(2)11-7-13(22)17(3)5-6-18(4)12(15(11)17)8-14-19(9-21)16(25-19)20(18,23)24-14/h10,12-14,16,21-23H,5-9H2,1-4H3/t12-,13-,14-,16-,17+,18-,19-,20?/m1/s1
InChIKeySFTYWNBUZPWGHO-MUHBFFNZSA-N
Species of MetaboliteComponentSourceComments
Cyathus (ncbitaxon:68776) - DOI (10.1139/v78-345)
ChEBI Ontology
Outgoing Relation(s)
Cyafrin A5 (CHEBI:213212) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2R,5R,6R,10R,12R,13R,15R)-13-(hydroxymethyl)-2,5-dimethyl-8-propan-2-yl-14,16-dioxapentacyclo[10.3.1.02,10.05,9.013,15]hexadec-8-ene-1,6-diol
Manual XrefsDatabases
78442703ChemSpider