CHEBI:213516 - Hericene F

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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 F
ChEBI ID CHEBI:213516
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H86O7
Net Charge 0
Average Mass 835.264
Monoisotopic Mass 834.63736
InChI InChI=1S/C53H86O7/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-52(56)60-47(39-44(3)4)40-45(5)37-38-48-50(58-6)41-46(49(42-54)53(48)57)43-59-51(55)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2/h15,17,21-22,37,39,41-42,47,57H,7-14,16,18-20,23-36,38,40,43H2,1-6H3/b17-15-,22-21-,45-37?/t47-/m1/s1
InChIKey DSZFRZWILYEFJU-KOPNGTSNSA-N
SMILES O=C(O[C@H](C=C(C)C)CC(=CCC1=C(O)C(=C(COC(=O)CCCCCCCCCCCCCCC)C=C1OC)C=O)C)CCCCCCC/C=C\C/C=C\CCCCC
Metabolite of Species Details
Hericium erinaceus (NCBI:txid91752) See: PubMed
ChEBI Ontology
Outgoing Hericene F (CHEBI:213516) is a carboxylic ester (CHEBI:33308)
IUPAC Name
[8-[3-ormyl-4-(hexadecanoyloxymethyl)-2-hydroxy-6-methoxyphenyl]-2,6-dimethylocta-2,6-dien-4-yl] (9Z,12Z)-octadeca-9,12-dienoate