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CHEBI:33064 - inositol hexanicotinate

ChEBI IDCHEBI:33064
ChEBI Nameinositol hexanicotinate
Stars
Last Modified16 June 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC42H30N6O12
Net Charge0
Average Mass810.732
Monoisotopic Mass810.19217
SMILESO=C(OC1C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C1OC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H
InChIKeyMFZCIDXOLLEMOO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
inositol hexanicotinate (CHEBI:33064) has functional parent nicotinic acid (CHEBI:15940)
inositol hexanicotinate (CHEBI:33064) is a inositol nicotinate (CHEBI:50134)
Incoming Relation(s)
myo-inositol hexanicotinate (CHEBI:31699) is a inositol hexanicotinate (CHEBI:33064)
IUPAC Name 
cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate
Synonyms  Source
inositol niacinateChemIDplus
hexanicotinoyl inositolChemIDplus
Registry NumbersSources
Beilstein:471091Beilstein
CAS:6556-11-2ChemIDplus