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CHEBI:175217 - Armillyl orsellinate

ChEBI IDCHEBI:175217
ChEBI NameArmillyl orsellinate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O6
Net Charge0
Average Mass402.487
Monoisotopic Mass402.20424
SMILESCc1cc(O)cc(O)c1C(=O)OC1CC2(C)C1=C(CO)C(O)C1CC(C)(C)CC12
InChIInChI=1S/C23H30O6/c1-11-5-12(25)6-16(26)18(11)21(28)29-17-9-23(4)15-8-22(2,3)7-13(15)20(27)14(10-24)19(17)23/h5-6,13,15,17,20,24-27H,7-10H2,1-4H3
InChIKeyWGPPXYYHVRWVLO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Armillyl orsellinate (CHEBI:175217) is a benzoate ester (CHEBI:36054)
Armillyl orsellinate (CHEBI:175217) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
HMDB0035774HMDB
35014017ChemSpider