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CHEBI:175182 - Armillaribin

ChEBI IDCHEBI:175182
ChEBI NameArmillaribin
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FormulaC24H30O5
Net Charge0
Average Mass398.499
Monoisotopic Mass398.20932
SMILESCOc1cc(C)c(C(=O)OC2CC3(C)C2=C(C=O)CC2CC(C)(C)CC23)c(O)c1
InChIInChI=1S/C24H30O5/c1-13-6-16(28-5)8-18(26)20(13)22(27)29-19-11-24(4)17-10-23(2,3)9-14(17)7-15(12-25)21(19)24/h6,8,12,14,17,19,26H,7,9-11H2,1-5H3
InChIKeyHWLRIFRIRNSGBG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Armillaribin (CHEBI:175182) is a benzoate ester (CHEBI:36054)
Armillaribin (CHEBI:175182) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3-ormyl-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl) 2-hydroxy-4-methoxy-6-methylbenzoate
Manual XrefsDatabases
HMDB0031672HMDB
35013377ChemSpider