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CHEBI:169173 - Silyhermin

Default Structure
ChEBI IDCHEBI:169173
ChEBI NameSilyhermin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H22O9
Net Charge0
Average Mass466.442
Monoisotopic Mass466.12638
SMILESCOc1cc(C2Oc3c(O)cc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)cc3C2CO)ccc1O
InChIInChI=1S/C25H22O9/c1-32-21-6-11(2-3-16(21)28)24-15(10-26)14-4-12(5-19(31)25(14)34-24)20-9-18(30)23-17(29)7-13(27)8-22(23)33-20/h2-8,15,20,24,26-29,31H,9-10H2,1H3/t15?,20-,24?/m0/s1
InChIKeyAQRHXQBZDLTXPO-QOTJCZOLSA-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)
Silyhermin (CHEBI:169173) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2S)-5,7-dihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzouran-5-yl]-2,3-dihydrochromen-4-one
Manual XrefsDatabases
8565248ChemSpider
LMPK12140415LIPID MAPS