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CHEBI:168319 - Neosilyhermin A

ChEBI IDCHEBI:168319
ChEBI NameNeosilyhermin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H22O9
Net Charge0
Average Mass466.442
Monoisotopic Mass466.12638
SMILES[H][C@]1(c2ccc(O)c3c2C(CO)C(c2ccc(O)c(OC)c2)O3)CC(=O)c2c(O)cc(O)cc2O1
InChIInChI=1S/C25H22O9/c1-32-20-6-11(2-4-15(20)28)24-14(10-26)22-13(3-5-16(29)25(22)34-24)19-9-18(31)23-17(30)7-12(27)8-21(23)33-19/h2-8,14,19,24,26-30H,9-10H2,1H3/t14?,19-,24?/m1/s1
InChIKeyODFCTVKAFKIYJI-OFVDEFNUSA-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)
Neosilyhermin A (CHEBI:168319) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2R)-5,7-dihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzouran-4-yl]-2,3-dihydrochromen-4-one
Manual XrefsDatabases
LMPK12140416LIPID MAPS
24846470ChemSpider