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CHEBI:224345 - Asiaticusinol A

ChEBI IDCHEBI:224345
ChEBI NameAsiaticusinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O6
Net Charge0
Average Mass456.579
Monoisotopic Mass456.25119
SMILESCC(=CCCC(C)=CCc1cc(C(=O)O)ccc1O)C/C=C/[C@@](C)(O)CCC=C(C)C(=O)O
InChIInChI=1S/C27H36O6/c1-19(10-6-16-27(4,33)17-7-11-21(3)25(29)30)8-5-9-20(2)12-13-22-18-23(26(31)32)14-15-24(22)28/h6,8,11-12,14-16,18,28,33H,5,7,9-10,13,17H2,1-4H3,(H,29,30)(H,31,32)/b16-6+,19-8?,20-12?,21-11?/t27-/m1/s1
InChIKeyUXGMHCFLBUEFHI-HWGXJNLZSA-N
Species of MetaboliteComponentSourceComments
Boletinus asiaticus (ncbitaxon:2725002) - PubMed (31244141)
ChEBI Ontology
Outgoing Relation(s)
Asiaticusinol A (CHEBI:224345) is a diterpenoid (CHEBI:23849)
IUPAC Name 
3-[(9E)-15-carboxy-11-hydroxy-3,7,11-trimethylhexadeca-2,6,9,14-tetraenyl]-4-hydroxybenzoic acid