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CHEBI:224357 - Asiaticusinol C

ChEBI IDCHEBI:224357
ChEBI NameAsiaticusinol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O6
Net Charge0
Average Mass456.579
Monoisotopic Mass456.25119
SMILESC=C(CCC=C(C)CCC=C(C)C(=O)O)[C@@H](O)CCC(C)=CCc1cc(C(=O)O)ccc1O
InChIInChI=1S/C27H36O6/c1-18(8-6-10-21(4)26(30)31)7-5-9-20(3)24(28)15-12-19(2)11-13-22-17-23(27(32)33)14-16-25(22)29/h7,10-11,14,16-17,24,28-29H,3,5-6,8-9,12-13,15H2,1-2,4H3,(H,30,31)(H,32,33)/t24-/m0/s1
InChIKeyLMZMZNYDMJLIQJ-DEOSSOPVSA-N
Species of MetaboliteComponentSourceComments
Boletinus asiaticus (ncbitaxon:2725002) - PubMed (31244141)
ChEBI Ontology
Outgoing Relation(s)
Asiaticusinol C (CHEBI:224357) is a diterpenoid (CHEBI:23849)
IUPAC Name 
3-(15-carboxy-6-hydroxy-3,11-dimethyl-7-methylidenehexadeca-2,10,14-trienyl)-4-hydroxybenzoic acid