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CHEBI:173273 - (7R*,8R*)-3-Methoxy-3',4,7,9,9'-pentahydroxy-8,4'-oxyneolignan

ChEBI IDCHEBI:173273
ChEBI Name(7R*,8R*)-3-Methoxy-3',4,7,9,9'-pentahydroxy-8,4'-oxyneolignan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O7
Net Charge0
Average Mass364.394
Monoisotopic Mass364.15220
SMILESCOc1cc(C(O)C(CO)Oc2ccc(CCCO)cc2O)ccc1O
InChIInChI=1S/C19H24O7/c1-25-17-10-13(5-6-14(17)22)19(24)18(11-21)26-16-7-4-12(3-2-8-20)9-15(16)23/h4-7,9-10,18-24H,2-3,8,11H2,1H3
InChIKeyKMYQEVOSRSCASE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(7R*,8R*)-3-Methoxy-3',4,7,9,9'-pentahydroxy-8,4'-oxyneolignan (CHEBI:173273) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
Manual XrefsDatabases
HMDB0040324HMDB
163338ChemSpider
Registry NumbersSources
CAS:57701-87-8ChemIDplus