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CHEBI:191501 - Neoacrimarine G

ChEBI IDCHEBI:191501
ChEBI NameNeoacrimarine G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H25NO8
Net Charge0
Average Mass515.518
Monoisotopic Mass515.15802
SMILESCOc1cc(O)c2c(=O)c3cccc(OC4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@H]4O)c3n(C)c2c1
InChIInChI=1S/C29H25NO8/c1-29(2)28(34)27(23-19(38-29)10-8-14-9-11-21(32)37-26(14)23)36-20-7-5-6-16-24(20)30(3)17-12-15(35-4)13-18(31)22(17)25(16)33/h5-13,27-28,31,34H,1-4H3/t27?,28-/m0/s1
InChIKeyMNOCITGIWBOSNH-CPRJBALCSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
Neoacrimarine G (CHEBI:191501) has functional parent acridone (CHEBI:50756)
Neoacrimarine G (CHEBI:191501) is a acridines (CHEBI:22213)
IUPAC Name 
1-hydroxy-5-[[(9S)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-]chromen-10-yl]oxy]-3-methoxy-10-methylacridin-9-one