CHEBI:228835 - (-)-Syringaresnol-4-O-beta-D-apiofuranosyl-(1->2)-beta-D-glucopyranoside

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ChEBI Name (-)-Syringaresnol-4-O-beta-D-apiofuranosyl-(1->2)-beta-D-glucopyranoside
ChEBI ID CHEBI:228835
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H44O17
Net Charge 0
Average Mass 712.698
Monoisotopic Mass 712.25785
InChI InChI=1S/C33H44O17/c1-41-18-5-14(6-19(42-2)23(18)36)26-16-10-46-27(17(16)11-45-26)15-7-20(43-3)28(21(8-15)44-4)49-31-29(25(38)24(37)22(9-34)48-31)50-32-30(39)33(40,12-35)13-47-32/h5-8,16-17,22,24-27,29-32,34-40H,9-13H2,1-4H3/t16-,17-,22-,24-,25+,26+,27+,29-,30+,31?,32+,33-/m1/s1
InChIKey BUBVKRMIMSPLND-NUEFYBFQSA-N
SMILES O1[C@H]([C@]2([C@]([C@@H](OC2)C3=CC(OC)=C(O)C(OC)=C3)(C1)[H])[H])C4=CC(OC)=C(OC5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]6OC[C@@](O)([C@H]6O)CO)CO)C(OC)=C4
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing (-)-Syringaresnol-4-O-beta-D-apiofuranosyl-(1->2)-beta-D-glucopyranoside (CHEBI:228835) is a glycoside (CHEBI:24400)
(-)-Syringaresnol-4-O-beta-D-apiofuranosyl-(1->2)-beta-D-glucopyranoside (CHEBI:228835) is a lignan (CHEBI:25036)