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CHEBI:175056 - Armillarivin

ChEBI IDCHEBI:175056
ChEBI NameArmillarivin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O5
Net Charge0
Average Mass384.472
Monoisotopic Mass384.19367
SMILES[H][C@]12CC(C)(C)C[C@@]1([H])C=C(C=O)[C@]1([H])[C@H](OC(=O)c3c(C)cc(O)cc3O)C[C@]21C
InChIInChI=1S/C23H28O5/c1-12-5-15(25)7-17(26)19(12)21(27)28-18-10-23(4)16-9-22(2,3)8-13(16)6-14(11-24)20(18)23/h5-7,11,13,16,18,20,25-26H,8-10H2,1-4H3/t13-,16+,18-,20-,23-/m1/s1
InChIKeyNFCOJBIECSQMAM-JQISRXLJSA-N
ChEBI Ontology
Outgoing Relation(s)
Armillarivin (CHEBI:175056) is a benzoate ester (CHEBI:36054)
Armillarivin (CHEBI:175056) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aR,4aS,7aS,7bR)-3-ormyl-6,6,7b-trimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
116496ChemSpider
Registry NumbersSources
CAS:135247-97-1ChemIDplus