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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (-)-Matairesinol 4'-[apiosyl-(1->2)-glucoside]
ChEBI ID CHEBI:168499
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H40O15
Net Charge 0
Average Mass 652.646
Monoisotopic Mass 652.23672
InChI InChI=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
InChIKey DGVRVIYWXWHLAT-UHFFFAOYSA-N
SMILES O(C1C(O)C(O)C(OC1OC2=C(OC)C=C(CC3C(CC4=CC(OC)=C(O)C=C4)C(OC3)=O)C=C2)CO)C5OCC(O)(C5O)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing (-)-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 Xref Database
HMDB0032830 HMDB
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