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CHEBI:174952 - Armillasin

ChEBI IDCHEBI:174952
ChEBI NameArmillasin
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FormulaC22H28O5
Net Charge0
Average Mass372.461
Monoisotopic Mass372.19367
SMILESCc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C[C@]12O
InChIInChI=1S/C22H28O5/c1-12-7-14(23)8-16(24)18(12)19(25)27-17-11-21(4)15-10-20(2,3)9-13(15)5-6-22(17,21)26/h5-8,13,15,17,23-24,26H,9-11H2,1-4H3/t13?,15?,17-,21-,22+/m1/s1
InChIKeyAFPPVJHFFGBKOB-WKEZMGNFSA-N
ChEBI Ontology
Outgoing Relation(s)
Armillasin (CHEBI:174952) is a benzoate ester (CHEBI:36054)
Armillasin (CHEBI:174952) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aR,7bR)-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate