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CHEBI:184239 - 6-O-Methylarmillaridin

ChEBI IDCHEBI:184239
ChEBI Name6-O-Methylarmillaridin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31ClO6
Net Charge0
Average Mass462.970
Monoisotopic Mass462.18092
SMILESCOc1cc(O)c(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C=O)C23OC)c(C)c1Cl
InChIInChI=1S/C25H31ClO6/c1-13-20(17(28)8-18(30-5)21(13)26)22(29)32-19-11-24(4)16-10-23(2,3)9-14(16)7-15(12-27)25(19,24)31-6/h7-8,12,14,16,19,28H,9-11H2,1-6H3
InChIKeyOFHJKWNSOIQOPB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
6-O-Methylarmillaridin (CHEBI:184239) is a benzoate ester (CHEBI:36054)
6-O-Methylarmillaridin (CHEBI:184239) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3-ormyl-2a-methoxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl) 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
Manual XrefsDatabases
35013997ChemSpider
HMDB0035690HMDB