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CHEBI:86947 - Syringin acetate

ChEBI IDCHEBI:86947
ChEBI NameSyringin acetate
Stars
DownloadsMolfile
FormulaC27H34O14
Net Charge0
Average Mass582.555
Monoisotopic Mass582.19486
SMILESCOc1cc(/C=C/COC(C)=O)cc(OC)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C27H34O14/c1-14(28)35-10-8-9-19-11-20(33-6)23(21(12-19)34-7)41-27-26(39-18(5)32)25(38-17(4)31)24(37-16(3)30)22(40-27)13-36-15(2)29/h8-9,11-12,22,24-27H,10,13H2,1-7H3/b9-8+/t22-,24-,25+,26-,27+/m1/s1
InChIKeyKEQKIMKYTIOSCP-WSUMOVQPSA-N
ChEBI Ontology
Outgoing Relation(s)
Syringin acetate (CHEBI:86947) has functional parent hexacarboxylic acid (CHEBI:59359)
Syringin acetate (CHEBI:86947) is a organooxygen compound (CHEBI:36963)