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CHEBI:181293 - Monomethylphylodulcin

ChEBI IDCHEBI:181293
ChEBI NameMonomethylphylodulcin
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SubmitterMetaboLights
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FormulaC17H16O5
Net Charge0
Average Mass300.310
Monoisotopic Mass300.09977
SMILESCOc1ccc([C@H]2Cc3cccc(O)c3C(=O)O2)cc1OC
InChIInChI=1S/C17H16O5/c1-20-13-7-6-10(8-15(13)21-2)14-9-11-4-3-5-12(18)16(11)17(19)22-14/h3-8,14,18H,9H2,1-2H3/t14-/m1/s1
InChIKeyWKNXOKHAEDTQCX-CQSZACIVSA-N
ChEBI Ontology
Outgoing Relation(s)
Monomethylphylodulcin (CHEBI:181293) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name 
(3R)-3-(3,4-dimethoxyphenyl)-8-hydroxy-3,4-dihydroisochromen-1-one
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22913862ChemSpider