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CHEBI:226934 - Erinacine U

ChEBI IDCHEBI:226934
ChEBI NameErinacine U
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O7
Net Charge0
Average Mass464.599
Monoisotopic Mass464.27740
SMILESCO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@@]2(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C=C1C=O
InChIInChI=1S/C26H40O7/c1-14(2)16-6-7-25(3)8-9-26(4)17(21(16)25)11-19(31-5)15(12-27)10-20(26)33-24-23(30)22(29)18(28)13-32-24/h10,12,14,17-20,22-24,28-30H,6-9,11,13H2,1-5H3/t17-,18-,19-,20+,22+,23-,24+,25-,26-/m1/s1
InChIKeyWUQTXLXCAOVKPK-SIZUUNDKSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - PubMed (29780164)
ChEBI Ontology
Outgoing Relation(s)
Erinacine U (CHEBI:226934) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aR,5aR,6S,9R,10aR)-9-methoxy-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]indene-8-carbaldehyde
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