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CHEBI:224352 - Asiaticusinol B

ChEBI IDCHEBI:224352
ChEBI NameAsiaticusinol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O6
Net Charge0
Average Mass456.579
Monoisotopic Mass456.25119
SMILESCC(=CCc1cc(C(=O)O)ccc1O)CC=C[C@@](C)(O)CCC=C(C)CCC=C(C)C(=O)O
InChIInChI=1S/C27H36O6/c1-19(8-5-11-21(3)25(29)30)9-6-16-27(4,33)17-7-10-20(2)12-13-22-18-23(26(31)32)14-15-24(22)28/h7,9,11-12,14-15,17-18,28,33H,5-6,8,10,13,16H2,1-4H3,(H,29,30)(H,31,32)/t27-/m0/s1
InChIKeyLXJZBWDMDHSMJN-MHZLTWQESA-N
Species of MetaboliteComponentSourceComments
Boletinus asiaticus (ncbitaxon:2725002) - PubMed (31244141)
ChEBI Ontology
Outgoing Relation(s)
Asiaticusinol B (CHEBI:224352) is a diterpenoid (CHEBI:23849)
IUPAC Name 
3-(15-carboxy-7-hydroxy-3,7,11-trimethylhexadeca-2,5,10,14-tetraenyl)-4-hydroxybenzoic acid