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CHEBI:217758 - Erinacine K

ChEBI IDCHEBI:217758
ChEBI NameErinacine K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O8
Net Charge0
Average Mass494.625
Monoisotopic Mass494.28797
SMILESCC(=O)OCC1=C[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@]2(C)CC[C@@]3(C)CCC(C(C)C)=C3[C@H]2CC1O
InChIInChI=1S/C27H42O8/c1-14(2)17-6-7-26(4)8-9-27(5)18(22(17)26)11-19(29)16(12-33-15(3)28)10-21(27)35-25-24(32)23(31)20(30)13-34-25/h10,14,18-21,23-25,29-32H,6-9,11-13H2,1-5H3/t18-,19?,20-,21+,23+,24-,25+,26-,27-/m1/s1
InChIKeyCKGZNZCRUPISHK-AMRAMDROSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - DOI (10.1016/j.tet.2006.06.091)
ChEBI Ontology
Outgoing Relation(s)
Erinacine K (CHEBI:217758) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(3aR,5aR,6S,10aR)-9-hydroxy-3a,5a-dimethyl-1-propan-2-yl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]inden-8-yl]methyl acetate
Manual XrefsDatabases
17243936ChemSpider