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CHEBI:177988 - (7R*,8R*)-3-Methoxy-3',4,7,9,9'-pentahydroxy-8,4'-oxyneolignan 4-xyloside

ChEBI IDCHEBI:177988
ChEBI Name(7R*,8R*)-3-Methoxy-3',4,7,9,9'-pentahydroxy-8,4'-oxyneolignan 4-xyloside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O11
Net Charge0
Average Mass496.509
Monoisotopic Mass496.19446
SMILESCOc1cc(C(O)C(CO)Oc2ccc(CCCO)cc2O)ccc1OC1OCC(O)C(O)C1O
InChIInChI=1S/C24H32O11/c1-32-19-10-14(5-7-18(19)35-24-23(31)22(30)16(28)12-33-24)21(29)20(11-26)34-17-6-4-13(3-2-8-25)9-15(17)27/h4-7,9-10,16,20-31H,2-3,8,11-12H2,1H3
InChIKeyXBHWAKRDNVCHEC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) Article
ChEBI Ontology
Outgoing Relation(s)
(7R*,8R*)-3-Methoxy-3',4,7,9,9'-pentahydroxy-8,4'-oxyneolignan 4-xyloside (CHEBI:177988) is a glycoside (CHEBI:24400)
(7R*,8R*)-3-Methoxy-3',4,7,9,9'-pentahydroxy-8,4'-oxyneolignan 4-xyloside (CHEBI:177988) is a lignan (CHEBI:25036)
IUPAC Name 
2-[4-[1,3-dihydroxy-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]propyl]-2-methoxyphenoxy]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0040325HMDB