CHEBI:213512 - Hericene E

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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 Hericene E
ChEBI ID CHEBI:213512
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C51H86O7
Net Charge 0
Average Mass 811.242
Monoisotopic Mass 810.63736
InChI InChI=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
InChIKey LTRJSXSLLGPPQG-DWGPZGNESA-N
SMILES O=C(O[C@H](C=C(C)C)C/C(=C/CC1=C(O)C(=C(COC(=O)CCCCCCCCCCCCCCC)C=C1OC)C=O)/C)CCCCCCCCCCCCCCC
Metabolite of Species Details
Hericium erinaceus (NCBI:txid91752) See: PubMed
ChEBI Ontology
Outgoing 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