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CHEBI:213529 - Hericene H

ChEBI IDCHEBI:213529
ChEBI NameHericene H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC55H90O7
Net Charge0
Average Mass863.318
Monoisotopic Mass862.66866
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](C=C(C)C)CC(C)=CCc1c(OC)cc(COC(=O)CCCCCCCCCCCCCCCCC)c(C=O)c1O
InChIInChI=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
InChIKeyAUDHWDZMJPKAKS-NWRVTBHXSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - PubMed (32325508)
ChEBI Ontology
Outgoing Relation(s)
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