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CHEBI:187743 - 6,8-Dimethoxy-2,3-trans-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7H-1,4-dioxono[2,3-h]chromene-7-one

ChEBI IDCHEBI:187743
ChEBI Name6,8-Dimethoxy-2,3-trans-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7H-1,4-dioxono[2,3-h]chromene-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H28O12
Net Charge0
Average Mass568.531
Monoisotopic Mass568.15808
SMILES[H][C@@]1(c2ccc(O)c(OC)c2OC)Oc2c(cc(OC)c3c(=O)c(OC)c(-c4cc(O)ccc4OC)oc23)O[C@H]1CO
InChIInChI=1S/C29H28O12/c1-34-17-9-6-13(31)10-15(17)25-29(38-5)22(33)21-18(35-2)11-19-27(28(21)41-25)40-23(20(12-30)39-19)14-7-8-16(32)26(37-4)24(14)36-3/h6-11,20,23,30-32H,12H2,1-5H3/t20-,23-/m0/s1
InChIKeyDVLWVYIZRZIYQB-REWPJTCUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
6,8-Dimethoxy-2,3-trans-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7H-1,4-dioxono[2,3-h]chromene-7-one (CHEBI:187743) is a flavonolignan (CHEBI:72709)
IUPAC Name 
(2S,3S)-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
Manual XrefsDatabases
24845623ChemSpider
LMPK12113066LIPID MAPS