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CHEBI:180771 - Armillaricin

ChEBI IDCHEBI:180771
ChEBI NameArmillaricin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29ClO5
Net Charge0
Average Mass432.944
Monoisotopic Mass432.17035
SMILESCOc1cc(O)c(C(=O)OC2CC3(C)C2=C(C=O)CC2CC(C)(C)CC23)c(C)c1Cl
InChIInChI=1S/C24H29ClO5/c1-12-19(16(27)7-17(29-5)21(12)25)22(28)30-18-10-24(4)15-9-23(2,3)8-13(15)6-14(11-26)20(18)24/h7,11,13,15,18,27H,6,8-10H2,1-5H3
InChIKeyHTYGPZSURXEEQG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
Armillaricin (CHEBI:180771) is a benzoate ester (CHEBI:36054)
Armillaricin (CHEBI:180771) 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) 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
Manual XrefsDatabases
HMDB0038686HMDB
35014634ChemSpider