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CHEBI:169115 - Isolariciresinol 9'-O-alpha-L-arabinofuranoside

ChEBI IDCHEBI:169115
ChEBI NameIsolariciresinol 9'-O-alpha-L-arabinofuranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O10
Net Charge0
Average Mass492.521
Monoisotopic Mass492.19955
SMILESCOc1cc(C2c3cc(O)c(OC)cc3CC(CO)C2COC2OC(CO)C(O)C2O)ccc1O
InChIInChI=1S/C25H32O10/c1-32-19-6-12(3-4-17(19)28)22-15-8-18(29)20(33-2)7-13(15)5-14(9-26)16(22)11-34-25-24(31)23(30)21(10-27)35-25/h3-4,6-8,14,16,21-31H,5,9-11H2,1-2H3
InChIKeyHLTAJPBMZNNKMA-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)
Isolariciresinol 9'-O-alpha-L-arabinofuranoside (CHEBI:169115) is a glycoside (CHEBI:24400)
Isolariciresinol 9'-O-alpha-L-arabinofuranoside (CHEBI:169115) is a lignan (CHEBI:25036)
IUPAC Name 
2-[[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
Manual XrefsDatabases
HMDB0032906HMDB
35013517ChemSpider