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CHEBI:197190 - Antiarone K

ChEBI IDCHEBI:197190
ChEBI NameAntiarone K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O7
Net Charge0
Average Mass402.443
Monoisotopic Mass402.16785
SMILES[H][C@@]1(C(C)(C)O)Cc2c(ccc(OC)c2OC)[C@H]1CC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C22H26O7/c1-22(2,27)15-9-14-12(5-6-19(28-3)21(14)29-4)13(15)10-18(26)20-16(24)7-11(23)8-17(20)25/h5-8,13,15,23-25,27H,9-10H2,1-4H3/t13-,15-/m1/s1
InChIKeyKYTOWOLLYORKTN-UKRRQHHQSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Antiarone K (CHEBI:197190) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
2-[(1S,2R)-2-(2-hydroxypropan-2-yl)-4,5-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(2,4,6-trihydroxyphenyl)ethanone
Manual XrefsDatabases
24845990ChemSpider
LMPK12120278LIPID MAPS