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CHEBI:168499 - (-)-Matairesinol 4'-[apiosyl-(1->2)-glucoside]

ChEBI IDCHEBI:168499
ChEBI Name(-)-Matairesinol 4'-[apiosyl-(1->2)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H40O15
Net Charge0
Average Mass652.646
Monoisotopic Mass652.23672
SMILESCOc1cc(CC2C(=O)OCC2Cc2ccc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)c(OC)c2)ccc1O
InChIInChI=1S/C31H40O15/c1-40-21-9-16(3-5-19(21)34)8-18-17(12-42-28(18)38)7-15-4-6-20(22(10-15)41-2)44-29-26(25(36)24(35)23(11-32)45-29)46-30-27(37)31(39,13-33)14-43-30/h3-6,9-10,17-18,23-27,29-30,32-37,39H,7-8,11-14H2,1-2H3
InChIKeyDGVRVIYWXWHLAT-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)
(-)-Matairesinol 4'-[apiosyl-(1->2)-glucoside] (CHEBI:168499) is a glycoside (CHEBI:24400)
(-)-Matairesinol 4'-[apiosyl-(1->2)-glucoside] (CHEBI:168499) is a lignan (CHEBI:25036)
IUPAC Name 
4-[[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Manual XrefsDatabases
HMDB0032830HMDB