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CHEBI:86597 - Coniferin acetate

ChEBI IDCHEBI:86597
ChEBI NameConiferin acetate
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FormulaC26H32O13
Net Charge0
Average Mass552.529
Monoisotopic Mass552.18429
SMILESCOc1cc(/C=C/COC(C)=O)ccc1O[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/C26H32O13/c1-14(27)33-11-7-8-19-9-10-20(21(12-19)32-6)38-26-25(37-18(5)31)24(36-17(4)30)23(35-16(3)29)22(39-26)13-34-15(2)28/h7-10,12,22-26H,11,13H2,1-6H3/b8-7+/t22-,23-,24+,25-,26-/m1/s1
InChIKeyDMAPSYFVDPFDAL-AXHRDKQHSA-N
ChEBI Ontology
Outgoing Relation(s)
Coniferin acetate (CHEBI:86597) has functional parent hexacarboxylic acid (CHEBI:59359)
Coniferin acetate (CHEBI:86597) is a organooxygen compound (CHEBI:36963)