EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:213523 - Hericene G

ChEBI IDCHEBI:213523
ChEBI NameHericene G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H88O7
Net Charge0
Average Mass837.280
Monoisotopic Mass836.65301
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](C=C(C)C)C/C(C)=C/Cc1c(OC)cc(COC(=O)CCCCCCCCCCCCCCC)c(C=O)c1O
InChIInChI=1S/C53H88O7/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/h21-22,37,39,41-42,47,57H,7-20,23-36,38,40,43H2,1-6H3/b22-21-,45-37+/t47-/m1/s1
InChIKeyBTWRBDAGXJKKNZ-UKPHUILLSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - PubMed (32325508)
ChEBI Ontology
Outgoing Relation(s)
Hericene G (CHEBI:213523) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[(6E)-8-[3-ormyl-4-(hexadecanoyloxymethyl)-2-hydroxy-6-methoxyphenyl]-2,6-dimethylocta-2,6-dien-4-yl] (Z)-octadec-9-enoate