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CHEBI:213512 - Hericene E

ChEBI IDCHEBI:213512
ChEBI NameHericene E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC51H86O7
Net Charge0
Average Mass811.242
Monoisotopic Mass810.63736
SMILESCCCCCCCCCCCCCCCC(=O)OCc1cc(OC)c(C/C=C(\C)C[C@@H](C=C(C)C)OC(=O)CCCCCCCCCCCCCCC)c(O)c1C=O
InChIInChI=1S/C51H86O7/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49(53)57-41-44-39-48(56-6)46(51(55)47(44)40-52)36-35-43(5)38-45(37-42(3)4)58-50(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h35,37,39-40,45,55H,7-34,36,38,41H2,1-6H3/b43-35+/t45-/m1/s1
InChIKeyLTRJSXSLLGPPQG-DWGPZGNESA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - PubMed (32325508)
ChEBI Ontology
Outgoing Relation(s)
Hericene E (CHEBI:213512) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[2-ormyl-4-[(2E)-5-hexadecanoyloxy-3,7-dimethylocta-2,6-dienyl]-3-hydroxy-5-methoxyphenyl]methyl hexadecanoate