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CHEBI:86935 - S b SA acetate

ChEBI IDCHEBI:86935
ChEBI NameS b SA acetate
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FormulaC30H36O13
Net Charge0
Average Mass604.605
Monoisotopic Mass604.21559
SMILESCOc1cc(C(OC(C)=O)C(COC(C)=O)Oc2c(OC)cc(/C=C/COC(C)=O)cc2OC)cc(OC)c1OC(C)=O
InChIInChI=1S/C30H36O13/c1-17(31)39-11-9-10-21-12-23(35-5)30(24(13-21)36-6)43-27(16-40-18(2)32)28(41-19(3)33)22-14-25(37-7)29(42-20(4)34)26(15-22)38-8/h9-10,12-15,27-28H,11,16H2,1-8H3/b10-9+
InChIKeyVZZHYTQELVSLBD-MDZDMXLPSA-N
ChEBI Ontology
Outgoing Relation(s)
S b SA acetate (CHEBI:86935) has functional parent tetracarboxylic acid (CHEBI:35742)
S b SA acetate (CHEBI:86935) is a organooxygen compound (CHEBI:36963)