CHEBI:217758 - Erinacine K

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Erinacine K
ChEBI ID CHEBI:217758
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H42O8
Net Charge 0
Average Mass 494.625
Monoisotopic Mass 494.28797
InChI InChI=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
InChIKey CKGZNZCRUPISHK-AMRAMDROSA-N
SMILES O=C(OCC1=C[C@H](O[C@@H]2OC[C@@H](O)[C@@H]([C@H]2O)O)[C@@]3(CC[C@@]4(C([C@H]3CC1O)=C(C(C)C)CC4)C)C)C
Metabolite of Species Details
Hericium erinaceus (NCBI:txid91752) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
17243936 ChemSpider
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