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CHEBI:175487 - Armillarilin

ChEBI IDCHEBI:175487
ChEBI NameArmillarilin
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FormulaC24H30O7
Net Charge0
Average Mass430.497
Monoisotopic Mass430.19915
SMILESCOc1cc(C)c(C(=O)OC2CC3(C)C4CC(C)(C)CC4(O)C=C(C=O)C23O)c(O)c1
InChIInChI=1S/C24H30O7/c1-13-6-15(30-5)7-16(26)19(13)20(27)31-18-10-22(4)17-9-21(2,3)12-23(17,28)8-14(11-25)24(18,22)29/h6-8,11,17-18,26,28-29H,9-10,12H2,1-5H3
InChIKeyJGQMXVRWAOSIBE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Armillarilin (CHEBI:175487) is a benzoate ester (CHEBI:36054)
Armillarilin (CHEBI:175487) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3-ormyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl) 2-hydroxy-4-methoxy-6-methylbenzoate
Manual XrefsDatabases
HMDB0031673HMDB
19994087ChemSpider