CHEBI:213529 - Hericene H

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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 H
ChEBI ID CHEBI:213529
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C55H90O7
Net Charge 0
Average Mass 863.318
Monoisotopic Mass 862.66866
InChI InChI=1S/C55H90O7/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-53(57)61-45-48-43-52(60-6)50(55(59)51(48)44-56)40-39-47(5)42-49(41-46(3)4)62-54(58)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h16,18,22,24,39,41,43-44,49,59H,7-15,17,19-21,23,25-38,40,42,45H2,1-6H3/b18-16-,24-22-,47-39?/t49-/m1/s1
InChIKey AUDHWDZMJPKAKS-NWRVTBHXSA-N
SMILES O=C(O[C@H](C=C(C)C)CC(=CCC1=C(O)C(=C(COC(=O)CCCCCCCCCCCCCCCCC)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 H (CHEBI:213529) is a carboxylic ester (CHEBI:33308)
IUPAC Name
[4-[3,7-dimethyl-5-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyocta-2,6-dienyl]-2-ormyl-3-hydroxy-5-methoxyphenyl]methyl octadecanoate