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CHEBI:169203 - Neoacrimarine K

ChEBI IDCHEBI:169203
ChEBI NameNeoacrimarine K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H29NO9
Net Charge0
Average Mass559.571
Monoisotopic Mass559.18423
SMILESCOc1ccc2c(=O)c3c(O)cc(OC)c(C4c5c(ccc6ccc(=O)oc56)OC4C(C)(C)O)c3n(C)c2c1OC
InChIInChI=1S/C31H29NO9/c1-31(2,36)30-24(23-17(40-30)10-7-14-8-12-20(34)41-28(14)23)22-19(38-5)13-16(33)21-26(22)32(3)25-15(27(21)35)9-11-18(37-4)29(25)39-6/h7-13,24,30,33,36H,1-6H3
InChIKeyXRRKNHPPSZSNHE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Neoacrimarine K (CHEBI:169203) has functional parent acridone (CHEBI:50756)
Neoacrimarine K (CHEBI:169203) is a acridines (CHEBI:22213)
IUPAC Name 
1-hydroxy-4-[8-(2-hydroxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl]-3,5,6-trimethoxy-10-methylacridin-9-one
Manual XrefsDatabases
8802023ChemSpider
HMDB0033192HMDB